LiteFold/PDB huggingface dataset:
PDB entry 7g6c: Crystal Structure of rat Autotaxin in complex with 2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile, i.e. SMILES c1c(c(cc(c1C(C)(C)C)OCC1=NC(=C(O1)N1CCCC1)C#N)C)C#N with IC50=0.0607829 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.49 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Lubbers, T., Rudolph, M.G.
PDB entry 7g6d: Crystal Structure of rat Autotaxin in complex with 10-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxamide, i.e. SMILES N1(c2c(cccc2)C2=C1CN(CCC2)C(=O)N)Cc1cccc(c1)OC(F)(F)F with IC50=0.35326 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
PDB entry 7g6e: Crystal Structure of rat Autotaxin in complex with 4-[(7-benzyl-9-methyl-8-oxopurin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide, i.e. SMILES N1(c2c(N(C1=O)Cc1ccccc1)cnc(n2)Nc1ccc(C(=O)NC2CCN(CC2)C)cc1)C with IC50=0.0611585 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Goodnow, R., Rudolph, M.G.
PDB entry 7g6f: Crystal Structure of rat Autotaxin in complex with (3R)-3-[[2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]-N-methyl-3-(4-nitrophenyl)propanamide, i.e. SMILES c1c(ccc(c1)[C@@H](CC(=O)NC)NC(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC1)C(=O)C)N(=O)=O with IC50=0.121117 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6g: Crystal Structure of rat Autotaxin in complex with 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Kuhne, H., Rudolph, M.G.
PDB entry 7g6h: Crystal Structure of rat Autotaxin in complex with 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole, i.e. SMILES O(c1cc(c(cc1C(C)(C)C)Cl)C)CC1=NNC=C1 with IC50=0.0632907 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Kuhne, H., Rudolph, M.G.
PDB entry 7g6i: Crystal Structure of rat Autotaxin in complex with 4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine, i.e. SMILES c1c(ncnc1)COc1cc(c(cc1C(C)(C)C)Cl)C with IC50=0.478806 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.83 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Kuhne, H., Rudolph, M.G.
PDB entry 7g6j: Crystal Structure of rat Autotaxin in complex with 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine, i.e. SMILES c1c(nccc1)COc1cc(c(cc1C(C)(C)C)Cl)C with IC50=1.98688 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.82 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Kuhne, H., Rudolph, M.G.
PDB entry 7g6k: Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES C1N(C[C@@H]2[C@@H]1CN(C2)C(=O)OCc1ccc(cc1)OC(F)(F)F)C(=O)c1ccc2c(n1)OC(=O)N2 with IC50=0.00908453 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6l: Crystal Structure of rat Autotaxin in complex with 2-[6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide, i.e. SMILES c1(ccc(c(c1)Cl)Cl)CNC(=O)CN1C(=O)c2cc(ccc2N=C1)N1CCN(CC1)C(=O)C1CCCC1 with IC50=0.00120236 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.49 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6m: Crystal Structure of rat Autotaxin in complex with [(3aS,6aS)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(1H-benzotriazol-5-yl)methanone, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.00159445 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6n: Crystal Structure of rat Autotaxin in complex with 3-[5-cyclopropyl-6-(oxan-4-yloxy)pyridin-3-yl]-4-methyl-1H-1,2,4-triazol-5-one
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.81 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6o: Crystal Structure of rat Autotaxin in complex with 6-[(3aR,6aR)-5-[5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]pyridine-3-sulfonamide, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(c(nc1)OC1CCOCC1)C1CC1)C(=O)c1ncc(cc1)S(=O)(=O)N with IC50=0.0360867 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6p: Crystal Structure of rat Autotaxin in complex with N-[5-cyano-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-2,2-dimethylpropanamide, i.e. SMILES c1(ccc(c(c1)NC(=O)C(C)(C)C)OCC1=NNC(=O)N1C)C#N with IC50=5.60007 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.88 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6q: Crystal Structure of rat Autotaxin in complex with 4-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide, i.e. SMILES c1cnc2c(c1)C(=CN2Cc1ccccc1)c1ccc(cc1N(=O)=O)C(=O)Nc1ccccc1 with IC50=0.0309996 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6r: Crystal Structure of rat Autotaxin in complex with 4-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide, i.e. SMILES C1(=CN(c2c1cccn2)Cc1ccccc1)c1ccc(cc1N(=O)=O)C(=O)NC with IC50=0.0467384 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.61 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6s: Crystal Structure of rat Autotaxin in complex with 6-chloro-3-[5-cyclopropyl-6-(oxan-4-yloxy)pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine, i.e. SMILES N1=C(c2c(N1)nc(cc2)Cl)c1cc(c(nc1)OC1CCOCC1)C1CC1 with IC50=1.82666 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.94 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g6t: Crystal Structure of rat Autotaxin in complex with 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide, i.e. SMILES S(=O)(=O)(c1cc(C(=O)Nc2ccccc2)c(cc1Cl)Cl)N1CCCCC1 with IC50=3.54684 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Canesso, R., Rudolph, M.G.
PDB entry 7g6u: Crystal Structure of rat Autotaxin in complex with N-cyclopentyl-4-[3-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxamide, i.e. SMILES c1(ccc(c(c1)Cl)Cl)CNC(=O)CN1C(=O)c2cc(ccc2N=C1)N1CCN(CC1)C(=O)NC1CCCC1 with IC50=0.0215151 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.53 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6v: Crystal Structure of rat Autotaxin in complex with N-methyl-4-(5-methyl-6-propoxypyridin-3-yl)-3-nitrobenzamide, i.e. SMILES c1(c2ccc(cc2N(=O)=O)C(=O)NC)cc(c(nc1)OCCC)C with IC50=2.80537 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.39 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6w: Crystal Structure of rat Autotaxin in complex with N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazolin-3-yl]acetamide, i.e. SMILES O=C1N(CC(=O)NCc2cc(Cl)c(Cl)cc2)C=Nc2c1cc(N1CCN(C[C@H]3CCOC3)CC1)cc2 with IC50=0.0358891 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.81 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6x: Crystal Structure of rat Autotaxin in complex with N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3-yl]acetamide, i.e. SMILES NS(=O)(=O)CCCC(=O)N1CCN(c2ccc3c(c2)C(=O)N(C=N3)CC(=O)NCc2ccc(c(c2)Cl)Cl)CC1 with IC50=0.00464057 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.54 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g6y: Crystal Structure of rat Autotaxin in complex with 1-[4-[[7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxopurin-2-yl]amino]benzoyl]piperidine-4-sulfonamide, i.e. SMILES c1nc(nc2c1N(C(=O)N2C)Cc1ccc(c(c1)F)F)Nc1ccc(cc1)C(=O)N1CCC(CC1)S(=O)(=O)N with IC50=0.00233021 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.48 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
PDB entry 7g6z: Crystal Structure of rat Autotaxin in complex with 2-chloro-7-[(4-fluorophenyl)methyl]-9-methylpurin-8-one
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.53 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
PDB entry 7g70: Crystal Structure of rat Autotaxin in complex with [(3aS,6aS)-5-[2-(dimethylamino)-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(1H-benzotriazol-5-yl)methanone, i.e. SMILES c1(ccc2c(c1)N=NN2)C(=O)N1C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(nc(c1)OCC1CCOCC1)N(C)C with IC50=0.0094279 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g71: Crystal Structure of rat Autotaxin in complex with 2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide, i.e. SMILES C(C(=O)NCc1cc(c(cc1)Cl)Cl)N1C(=O)c2c(ccc(c2)N2CCN(CC2)C(=O)C)N=C1C with IC50=1.2328 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.67 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Nettekoven, M., Rudolph, M.G.
PDB entry 7g72: Crystal Structure of rat Autotaxin in complex with 2-[6-(4-acetylpiperazin-1-yl)-2,4-dioxo-1H-quinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Nettekoven, M., Rudolph, M.G.
PDB entry 7g73: Crystal Structure of rat Autotaxin in complex with 6-(4-acetylpiperazin-1-yl)-3-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]quinazolin-4-one, i.e. SMILES c1(ccc2c(c1)C(=O)N(C=N2)CC1=CN(N=N1)Cc1ccc(c(c1)Cl)Cl)N1CCN(CC1)C(=O)C with IC50=0.0309414 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.52 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g74: Crystal Structure of rat Autotaxin in complex with 4-[[4-[[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]methyl]-2-fluorobenzonitrile
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.82 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g75: Crystal Structure of rat Autotaxin in complex with 3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-4-(trifluoromethoxy)benzamide, i.e. SMILES c1c(c(cc(c1)C(=O)N)c1cc(c(cc1OCC1=NNC(=O)N1C)C)Cl)OC(F)(F)F with IC50=0.187764 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.66 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Kuhne, H., Rudolph, M.G.
PDB entry 7g76: Crystal Structure of rat Autotaxin in complex with 2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide, i.e. SMILES O=C(C)N1CCN(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(c(Cl)c3)C#N)C(=O)c2c1 with IC50=0.036628 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.5 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g77: Crystal Structure of rat Autotaxin in complex with 2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide, i.e. SMILES c1(ccc2c(c1)C(=O)N(C=N2)CC(=O)N(Cc1cc(c(cc1)C#N)Cl)C)C1CCN(CC1)C(=O)C with IC50=0.0234152 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g78: Crystal Structure of rat Autotaxin in complex with 2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3-yl]-N-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-methylacetamide, i.e. SMILES c1(ccc2c(c1)C(=O)N(C=N2)CC(=O)N(C)Cc1cc(c(cc1)Cl)OC(F)(F)F)C1CCN(CC1)C(=O)C with IC50=0.0156427 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.91 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g79: Crystal Structure of rat Autotaxin in complex with 1-[(3aS,6aS)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(1H-triazol-5-yl)propan-1-one, i.e. SMILES N1(C(=O)c2cc(nc(c2)C2CC2)OCC2CCOCC2)C[C@H]2[C@H](C1)CN(C2)C(=O)CCC1=CN=NN1 with IC50=0.250768 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.72 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7a: Crystal Structure of rat Autotaxin in complex with 2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one, i.e. SMILES O=C1N2C=C(c3ccc(Cl)cc3)N=C2N(C(=C1)C)CCCCC with IC50=0.0671599 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7b: Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-3a-methyl-2-(4-sulfamoylbenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@]2(CN(C(=O)OCc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1)C with IC50=0.0121906 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7c: Crystal Structure of rat Autotaxin in complex with 4-[3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-4-fluorobenzoyl]-1-methylpiperazin-2-one, i.e. SMILES c1(cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1)C(=O)N1CCN(C(=O)C1)C with IC50=0.0470407 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
PDB entry 7g7d: Crystal Structure of rat Autotaxin in complex with 5-[3-oxo-3-[rac-(3aR,8aS)-6-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]propyl]-3H-1,3-oxazol-2-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1)CN(C2)C(=O)CCC1=CNC(=O)O1 with IC50=0.0580555 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7e: Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aR,6aR)-3a-methyl-2-(4-sulfamoylbenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C(=O)OCc3ccc(OC(F)(F)F)cc3)C[C@]2(C1)C with IC50=0.0156721 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.94 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7f: Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(3aR,8aS)-6-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]methanone, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1)CN(C2)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.00129469 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7g: Crystal Structure of rat Autotaxin in complex with 2-[7-(1-acetylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide, i.e. SMILES c1(ccc(c(c1)Cl)Cl)CN(C(=O)CC1=CN=C2C=CC(=CN2C1=O)C1CCN(CC1)C(=O)C)C with IC50=0.798931 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g7h: Crystal Structure of rat Autotaxin in complex with (E)-N-methyl-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]-N-(2-phenoxyethyl)prop-2-enamide, i.e. SMILES CC1=NN(N=N1)Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)N(CCOc1ccccc1)C with IC50=0.00849012 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7i: Crystal Structure of rat Autotaxin in complex with N-[(3-chloro-4-cyanophenyl)methyl]-2-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxoquinazolin-3-yl]-N-methylacetamide, i.e. SMILES c1(ccc2c(c1)C(=O)N(C=N2)CC(=O)N(Cc1cc(c(cc1)C#N)Cl)C)C1CCN(CC1)C(=O)COC with IC50=0.0120222 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.61 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g7j: Crystal Structure of rat Autotaxin in complex with 4-[(3aR,6aR)-2-[(E)-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-fluorobenzenesulfonamide, i.e. SMILES [C@@H]12CN(C(=O)c3c(cc(cc3)S(=O)(=O)N)F)C[C@H]1CN(C2)C(=O)/C=C/c1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.00194649 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7k: Crystal Structure of rat Autotaxin in complex with N-[(3-chloro-4-cyanophenyl)methyl]-N-methyl-2-[6-[1-(oxetane-2-carbonyl)piperidin-4-yl]-4-oxoquinazolin-3-yl]acetamide, i.e. SMILES c1(ccc2c(c1)C(=O)N(C=N2)CC(=O)N(Cc1cc(c(cc1)C#N)Cl)C)[C@H]1CCN(CC1)C(=O)[C@H]1OCC1 with IC50=0.0239157 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.67 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g7l: Crystal Structure of rat Autotaxin in complex with N-[(3-chloro-4-cyanophenyl)methyl]-2-[7-[1-(2-methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-methylacetamide, i.e. SMILES COCC(=O)N1CCC(CC1)c1cc2C(=O)N(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)CCc2cc1 with IC50=0.271593 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.62 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g7m: Crystal Structure of rat Autotaxin in complex with N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-oxo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-3-yl]acetamide, i.e. SMILES N1=C(SC=C1)N1CCN(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(c(c3)Cl)Cl)C(=O)c2c1 with IC50=0.0764342 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.69 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Martin-Rainer, E., Rudolph, M.G.
PDB entry 7g7n: Crystal Structure of rat Autotaxin in complex with ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate, i.e. SMILES C1(=NNC(=C1)c1cc(Br)ccc1)C(=O)OCC with IC50=9.48157 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Aebi, J., Rudolph, M.G.
PDB entry 7g7o: Crystal Structure of rat Autotaxin in complex with 3-methyl-5-[rac-(3aR,8aS)-6-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carbonyl]-1H-benzimidazol-2-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1)CN(C2)C(=O)c1ccc2c(c1)N(C(=O)N2)C with IC50=0.00527031 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7p: Crystal Structure of rat Autotaxin in complex with 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Goetschi, E., Rudolph, M.G.
PDB entry 7g7q: Crystal Structure of rat Autotaxin in complex with [2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridin-4-yl]-[rac-(3aR,8aS)-2-(3-hydroxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]methanone, i.e. SMILES N1(C(=O)N2C[C@H]3CCN(CC[C@H]3C2)C(=O)c2cc(C3CC3)nc(OCC3CCOCC3)c2)CC2=C(CC1)C(=NO2)O with IC50=0.00552809 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.02 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7r: Crystal Structure of rat Autotaxin in complex with 3-[(Z)-1-butan-2-yloxy-2-(2,4-dichlorophenyl)ethenyl]pyridine, i.e. SMILES C(=Cc1c(cc(cc1)Cl)Cl)(/c1cccnc1)O[C@@H](CC)C with IC50=0.375554 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Pfiffner, A., Rudolph, M.G.
PDB entry 7g7s: Crystal Structure of rat Autotaxin in complex with 4-methyl-3-[[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-5-one, i.e. SMILES C(c1cc(C(F)(F)F)ccc1OCC1=NNC(=O)N1C)N1N=C(N=N1)C with IC50=2.52664 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
PDB entry 7g7t: Crystal Structure of rat Autotaxin in complex with 6-[(3aR,6aR)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]pyridine-3-sulfonamide, i.e. SMILES c1(ncc(cc1)S(=O)(=O)N)C(=O)N1C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1 with IC50=0.00465744 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7u: Crystal Structure of rat Autotaxin in complex with 4-[(3aR,6aR)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]-3-fluorobenzenesulfonamide, i.e. SMILES c1(ccc(cc1F)S(=O)(=O)N)C(=O)N1C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1 with IC50=0.00563561 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.93 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7v: Crystal Structure of rat Autotaxin in complex with 3-fluoro-4-[4-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]benzenesulfonamide, i.e. SMILES C(=O)(N1CCN(CC1)c1c(cc(cc1)S(=O)(=O)N)F)CCc1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.0757584 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.62 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7w: Crystal Structure of rat Autotaxin in complex with 4-[4-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperazine-1-carbonyl]benzenesulfonamide, i.e. SMILES C(=O)(N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N)CCc1ccc(cc1CN1N=NC(=N1)C)C(F)(F)F with IC50=0.0212583 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.61 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7x: Crystal Structure of rat Autotaxin in complex with N-methyl-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide, i.e. SMILES CC1=NN(N=N1)Cc1cc(C(F)(F)F)ccc1CCC(=O)N(CCOc1ccc(cc1)S(=O)(=O)N)C with IC50=0.259045 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.54 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7y: Crystal Structure of rat Autotaxin in complex with 4-[[1-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]methyl]benzenesulfonamide, i.e. SMILES CC1=NN(N=N1)Cc1cc(C(F)(F)F)ccc1CCC(=O)N1CC[C@@H](CC1)Cc1ccc(cc1)S(=O)(=O)N with IC50=0.0117234 microM
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g7z: Crystal Structure of rat Autotaxin in complex with 3-fluoro-4-[1-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]sulfanylbenzoic acid
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-05
Authors: Stihle, M., Benz, J., Hunziker, D., Mattei, P., Rudolph, M.G.
PDB entry 7g80: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.671 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g81: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.51 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g82: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.409 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g83: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.31 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g84: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.811 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g85: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.735 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g86: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1137725943
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.699 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g87: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148165337
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.053 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g88: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148747945
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.869 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g89: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1192341021
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.901 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8a: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100642432
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.5 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8b: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100643660
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.42 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8c: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1037511924
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.176 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8d: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474228
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.937 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8e: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104479710
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8f: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079168976
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.42 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8g: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.92 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8h: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.67 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8i: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198316457
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.468 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8j: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1216861874
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.986 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8k: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1217131798
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.491 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8l: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1251207602
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.6 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8m: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.029 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8n: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8o: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1267800292
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.579 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8p: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269184613
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.209 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8q: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.561 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8r: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270087714
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.44 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8s: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270393711
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.6 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8t: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.385 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8u: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z131833926
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.44 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8v: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.451 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8w: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.939 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8x: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416571195
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.711 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8y: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g8z: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.509 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g90: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509195674
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.911 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g91: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509257513
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.292 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g92: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.872 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g93: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.693 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g94: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1575337975
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.47 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g95: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.551 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g96: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1203730981
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g97: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z57899718
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g98: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z4605084898
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.878 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g99: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102102-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.78 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9a: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102113-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.583 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9b: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102116-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.553 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9c: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.686 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9d: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.659 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9e: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102197-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.151 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9f: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102209-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.935 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9g: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.079 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9h: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.746 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9i: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102253-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.202 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9j: ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102281-001
Classification: CYTOSOLIC PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2023-06-22
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7g9k: PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1262246195
Classification: VIRAL PROTEIN
Source organism: Zika virus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.551 Å
Deposited: 2023-07-03
Authors: Godoy, A.S., Noske, G.D., Fairhead, M., Lithgo, R.M., Koekemoer, L., Aschenbrenner, J.C., Balcomb, B.H., Marples, P.G., Ni, X., Tomlinson, C.W.E., Wild, C., Mesquita, N.C.M.R., Oliva, G., Fearon, D., Walsh, M.A., von Delft, F.
PDB entry 7g9l: PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z111782404
Classification: VIRAL PROTEIN
Source organism: Zika virus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.541 Å
Deposited: 2023-07-03
Authors: Godoy, A.S., Noske, G.D., Fairhead, M., Lithgo, R.M., Koekemoer, L., Aschenbrenner, J.C., Balcomb, B.H., Marples, P.G., Ni, X., Tomlinson, C.W.E., Wild, C., Mesquita, N.C.M.R., Oliva, G., Fearon, D., Walsh, M.A., von Delft, F.
PDB entry 7g9m: PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z44584886
Classification: VIRAL PROTEIN
Source organism: Zika virus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.541 Å
Deposited: 2023-07-03
Authors: Godoy, A.S., Noske, G.D., Fairhead, M., Lithgo, R.M., Koekemoer, L., Aschenbrenner, J.C., Balcomb, B.H., Marples, P.G., Ni, X., Tomlinson, C.W.E., Wild, C., Mesquita, N.C.M.R., Oliva, G., Fearon, D., Walsh, M.A., von Delft, F.