LiteFold/PDB huggingface dataset:
PDB entry 7ft5: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.77 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ft6: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0008
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ft7: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57127349
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.78 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ft8: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with NCL-00024671
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ft9: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.77 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7fta: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ftb: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.22 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ftc: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1509711879
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.87 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ftd: SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2023-01-24
Authors: Bradshaw, W.J., Katis, V.L., Bountra, C., von Delft, F., Brennan, P.E.
PDB entry 7ftf: Crystal Structure of apo human cyclic GMP-AMP synthase
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.508 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftg: Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fth: Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.55 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fti: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Brunner, M., Rudolph, M.G.
PDB entry 7ftj: Crystal Structure of apo human cyclic GMP-AMP synthase
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.461 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftk: Crystal Structure of apo human cyclic GMP-AMP synthase
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.125 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftl: Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Brunner, M., Rudolph, M.G.
PDB entry 7ftm: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.698 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Brunner, M., Rudolph, M.G.
PDB entry 7ftn: Crystal Structure of human cyclic GMP-AMP synthase in complex with propanedioic acid
Classification: TRANSFERASE/DNA
Source organism: Homo sapiens; SYNTHETIC CONSTRUCT
Experimental method: X-RAY DIFFRACTION
Resolution: 2.001 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Urban, R., Rudolph, M.G.
PDB entry 7fto: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Zhou, C., Rudolph, M.G.
PDB entry 7ftp: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(4-chlorophenyl)-10,11-dimethoxy-7-methyl-2,4,6-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9(13),10-hexaene
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.48 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Zhang, Z., Rudolph, M.G.
PDB entry 7ftq: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Zhou, C., Rudolph, M.G.
PDB entry 7ftr: Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.64 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Canesso, R., Rudolph, M.G.
PDB entry 7fts: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.215 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftt: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.235 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftu: Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-[4-(4-chlorophenyl)sulfonylphenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftv: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-(quinolin-6-ylmethyl)benzamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.875 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7ftw: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.208 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftx: Crystal Structure of apo human cyclic GMP-AMP synthase - hexagonal form
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.831 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fty: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one:2,2,2-trifluoroacetic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7ftz: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-[3-[[(5-bromo-2-hydroxybenzoyl)amino]methyl]anilino]-1,3-thiazol-4-yl]acetic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fu0: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-phenylphenyl)methylamino]-5-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.969 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7fu1: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-[3-[[(5-bromo-2-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpyrazole-3-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.074 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fu2: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Zhou, C., Rudolph, M.G.
PDB entry 7fu3: Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.822 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Brunner, M., Rudolph, M.G.
PDB entry 7fu4: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-fluoro-4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.926 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7fu5: Crystal Structure of human cyclic GMP-AMP synthase
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.18 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fu6: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-benzyl-6-(2-chloro-4-methylphenyl)indazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.37 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7fu7: Crystal Structure of human cyclic GMP-AMP synthase
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.24 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fu8: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-chloro-5-pyridin-4-ylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.718 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7fu9: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-chloro-5-pyridin-4-ylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.668 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7fua: Crystal Structure of human cyclic GMP-AMP synthase in complex with phosphate
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.444 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fub: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-(pyridin-4-ylmethyl)benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.981 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fuc: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-2-(morpholin-4-ylmethyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.52 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fud: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-benzyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.026 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fue: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-5-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.169 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fuf: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-benzyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.919 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fug: Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-benzyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.106 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fuh: Crystal Structure of human cyclic GMP-AMP synthase in complex with phosphate
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.944 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fui: Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fuj: Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.79 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fuk: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-(2-phenylethyl)benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.606 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Hunziker, D., Rudolph, M.G.
PDB entry 7ful: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-[3-(methanesulfonamido)propyl]benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.296 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fum: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fun: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.07 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fuo: Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-chlorophenyl)methylamino]-5-[(2-fluoroanilino)methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.81 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Brunner, M., Rudolph, M.G.
PDB entry 7fup: Crystal Structure of human cyclic GMP-AMP synthase in complex with methyl 1-benzoyl-3-methyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.411 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fuq: Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-phenylbenzimidazole-4-carboxylic acid
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.757 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Galley, G., Rudolph, M.G.
PDB entry 7fur: Crystal Structure of human cyclic GMP-AMP synthase in complex with 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.7 Å
Deposited: 2023-02-08
Authors: Leibrock, L., Benz, J., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 7fus: PanDDA analysis group deposition -- PHIP in complex with Z44602363
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fut: PanDDA analysis group deposition -- PHIP in complex with Z44602357
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fuu: PanDDA analysis group deposition -- PHIP in complex with Z445977856
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.16 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fuv: PanDDA analysis group deposition -- PHIP in complex with Z183376720
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fuw: PanDDA analysis group deposition -- PHIP in complex with Z961579360
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fux: PanDDA analysis group deposition -- PHIP in complex with Z183480798
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.22 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fuy: PanDDA analysis group deposition -- PHIP in complex with Z1284554279
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fuz: PanDDA analysis group deposition -- PHIP in complex with Z4307421429
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.43 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv0: PanDDA analysis group deposition -- PHIP in complex with Z44602337
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.21 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv1: PanDDA analysis group deposition -- PHIP in complex with Z4912742920
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv2: PanDDA analysis group deposition -- PHIP in complex with Z445899798
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv3: PanDDA analysis group deposition -- PHIP in complex with Z4912742924
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv4: PanDDA analysis group deposition -- PHIP in complex with Z44602341
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv5: PanDDA analysis group deposition -- PHIP in complex with Z606695272
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv6: PanDDA analysis group deposition -- PHIP in complex with Z1334218055
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv7: PanDDA analysis group deposition -- PHIP in complex with Z1929967066
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv8: PanDDA analysis group deposition -- PHIP in complex with Z964297186
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fv9: PanDDA analysis group deposition -- PHIP in complex with Z1004253138
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fva: PanDDA analysis group deposition -- PHIP in complex with Z4913872963
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvb: PanDDA analysis group deposition -- PHIP in complex with Z6617539657
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.38 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvc: PanDDA analysis group deposition -- PHIP in complex with Z495704106
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvd: PanDDA analysis group deposition -- PHIP in complex with Z1424453050
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.36 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fve: PanDDA analysis group deposition -- PHIP in complex with Z488932160
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvf: PanDDA analysis group deposition -- PHIP in complex with Z123605878
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvg: PanDDA analysis group deposition -- PHIP in complex with Z992453336
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvh: PanDDA analysis group deposition -- PHIP in complex with Z5067911819
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvi: PanDDA analysis group deposition -- PHIP in complex with Z183306756
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvj: PanDDA analysis group deposition -- PHIP in complex with Z4913873236
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvk: PanDDA analysis group deposition -- PHIP in complex with Z409964562
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvl: PanDDA analysis group deposition -- PHIP in complex with Z4140355932
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvm: PanDDA analysis group deposition -- PHIP in complex with Z1590917771
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.26 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvn: PanDDA analysis group deposition -- PHIP in complex with Z371875396
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvo: PanDDA analysis group deposition -- PHIP in complex with Z1435810807
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvp: PanDDA analysis group deposition -- PHIP in complex with Z1004277578
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvq: PanDDA analysis group deposition -- PHIP in complex with Z68576046
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvr: PanDDA analysis group deposition -- PHIP in complex with Z166737374
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-03-09
Authors: Grosjean, H., Tomlinson, C., Bradshaw, W.J., Koekemoer, L., Krojer, T., Fearon, D., Biggin, P.C., von Delft, F.
PDB entry 7fvs: Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one
Classification: ISOMERASE
Source organism: Staphylococcus aureus subsp. aureus N315; SYNTHETIC CONSTRUCT
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2023-04-18
Authors: Xu, B., Benz, J., Cumming, J.G., Kreis, L., Rudolph, M.G.
PDB entry 7fvt: Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
Classification: ISOMERASE
Source organism: Staphylococcus aureus subsp. aureus N315; SYNTHETIC CONSTRUCT
Experimental method: X-RAY DIFFRACTION
Resolution: 2.081 Å
Deposited: 2023-04-18
Authors: Xu, B., Benz, J., Cumming, J.G., Rudolph, M.G.
PDB entry 7fvu: Crystal Structure of human FABP4 in complex with 2-[2-(benzothiophen-3-yl)-2,3-dihydrobenzothiophene-3-carbonyl]benzoic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fvv: Crystal Structure of human FABP4 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.08 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fvw: Crystal Structure of human FABP4 in complex with 2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.04 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fvx: Crystal Structure of human FABP4 in complex with 4-(1-methyl-2-phenylindol-3-yl)cyclohexane-1-carboxylic acid, i.e. SMILES c1ccc2c(c1)C(=C(N2C)c1ccccc1)[C@@H]1CC[C@@H](CC1)C(=O)O with IC50=0.048 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Lerner, C., Rudolph, M.G.
PDB entry 7fvy: Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fvz: Crystal Structure of human FABP4 in complex with (E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methyl-hex-4-enoic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fw0: Crystal Structure of human FABP4 in complex with 3-methyl-2-(2,4,5-trichlorophenyl)sulfanylbutanoic acid, i.e. SMILES c1(c(cc(c(c1)Cl)S[C@@H](C(=O)O)C(C)C)Cl)Cl with IC50=3.5 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fw1: Crystal Structure of human FABP4 in complex with 2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, i.e. SMILES c1(c(nc(c(c1c1ccc(cc1)F)C1=NN=NN1)C1(CCCC1)COC)C1CCCC1)C with IC50=0.0153077 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.26 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 7fw2: Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1ccc(Cl)cc1)S)CC=C with IC50=0.833 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fw3: Crystal Structure of human FABP4 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.08 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Canesso, R., Rudolph, M.G.
PDB entry 7fw4: Crystal Structure of human FABP4 soaked with glycerol
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.44 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fw5: Crystal Structure of human FABP4 with active site mutated to that of FABP3 in complex with palmitate
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fw6: Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid, i.e. SMILES O(c1ccccc1)[C@H]1CC[C@H]([C@H](C1)COc1cccc(c1)Cl)C(=O)O with IC50=0.259424 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.04 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fw7: Crystal Structure of human FABP4 in complex with 2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C(=O)([C@H]1[C@@H](C(=O)O)CCCC1)Nc1cc(c(cc1)F)Cl with IC50=12.0427 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.06 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fw8: Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid, i.e. SMILES c1(c(c2c(nc1C)ccc(c2)Cl)c1ccccc1)C(=O)O with IC50=0.275 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.16 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fw9: Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 7fwa: Crystal Structure of human FABP4 in complex with 5-[(4-chloroanilino)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES N12C(=NC(=N1)c1ccccc1)NC(=CC2=O)CNc1ccc(Cl)cc1 with IC50=0.683 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.07 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fwb: Crystal Structure of human FABP4 in complex with 5-[2-(2,4-dichlorophenoxy)phenyl]-1H-tetrazole, i.e. SMILES c1(c(Oc2c(cc(cc2)Cl)Cl)cccc1)C1=NN=NN1 with IC50=1.2 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwc: Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-2-(hydroxymethylene)cyclohexane-1,3-dione
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwd: Crystal Structure of human FABP4 in complex with 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid, i.e. SMILES N1(C(=CC=C1CCC(=O)O)c1ccc(cc1)F)c1ccc(C(=O)N)cc1 with IC50=0.263 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fwe: Crystal Structure of human FABP4 in complex with 3-(4-chlorophenyl)sulfanylbutanoic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fwf: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, i.e. SMILES c1(c(nc(c(c1)C(=O)O)C(F)(F)F)OCC(F)(F)F)C1CCCCC1 with IC50=0.733066 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fwg: Crystal Structure of human FABP4 in complex with 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES c1(cc(c(cc1)Cl)Oc1ccccc1)CN1C(=O)C=C(C=C1)O with IC50=0.319 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.13 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fwh: Crystal Structure of human FABP4 in complex with 3-[5-(3,5-dichlorophenyl)tetrazol-2-yl]propanoic acid, i.e. SMILES C1(=NN(N=N1)CCC(=O)O)c1cc(cc(c1)Cl)Cl with IC50=7.8 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwi: Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ning, R., Rudolph, M.G.
PDB entry 7fwj: Crystal Structure of human FABP4 in complex with 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, i.e. SMILES c1(c(nc(c(c1)C(=O)O)C(F)(F)F)OCC(F)(F)F)C1CCCCC1 with IC50=0.0345135 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.08 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fwk: Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.95 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fwl: Crystal Structure of human FABP4 in complex with 5-[(3,4-dichlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one, i.e. SMILES c1(cc(c(cc1)Cl)Cl)CN1CC(=O)NS1(=O)=O with IC50=0.466 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fwm: Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenylphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES C1(=CC(=O)N(C=C1)Cc1ccc(cc1c1ccccc1)Cl)O with IC50=2.3 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fwn: Crystal Structure of human FABP4 in complex with 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid, i.e. SMILES N1(C(=C(c2c1ccc(c2)C)c1ccccc1)c1ccccc1)CCC(=O)O with IC50=0.038 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwo: Crystal Structure of human FABP4 in complex with 2-cyclohexyl-6-hydroxy-1-benzofuran-3-one
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Boehringer, M., Rudolph, M.G.
PDB entry 7fwp: Crystal Structure of human FABP4 in complex with 3-hydroxy-4-[3-(3-methoxyphenyl)propyl]-2-(2-phenylethyl)-2H-furan-5-one, i.e. SMILES COc1cccc(CCCC2=C(O)[C@@H](CCc3ccccc3)OC2=O)c1 with IC50=0.314 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rogers-Evans, M., Rudolph, M.G.
PDB entry 7fwq: Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)C)C(=O)O)Oc1c(cccc1)Cl)Cl with IC50=0.048 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Conte, A., Rudolph, M.G.
PDB entry 7fwr: Crystal Structure of human FABP4 in complex with 3-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazin-5-ol, i.e. SMILES c1(CSc2nc(cnn2)O)cc(c(cc1)Cl)Cl with IC50=0.290 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Montavon, M., Rudolph, M.G.
PDB entry 7fws: Crystal Structure of human FABP4 covalently modified with 1,2-benzothiazol-3-one
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwt: Crystal Structure of apo mouse FABP4
Classification: LIPID BINDING PROTEIN
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.54 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwu: Crystal Structure of human FABP4 in complex with 2-(fluoren-9-ylidenemethyl)-4-hydroxy-2,3-dihydropyran-6-one, i.e. SMILES C1(=C[C@H]2CC(=CC(=O)O2)O)c2c(-c3c1cccc3)cccc2 with IC50=0.103 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.01 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Wu, H., Rudolph, M.G.