LiteFold/PDB huggingface dataset:
PDB entry 5sip: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(n(nc1)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4)C(N5CCC5)=O, micromolar IC50=0.0027158
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5siq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [S](N3CCN(c2nc1ccccc1nc2CC)CC3)(c4ccc(cc4)C)(=O)=O, micromolar IC50=0.226614
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sir: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(C)nc(c(c1)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4, micromolar IC50=0.028279
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sis: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(n(nc1)C)C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)C(=O)N(C)CCNC, micromolar IC50=0.002096
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sit: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncnc(c1)C)Nc2ccc(C)cc2, micromolar IC50=408.404817
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Beresini, M., Rudolph, M.G.
PDB entry 5siu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2c(Cl)c1nc(nn1c(c2Cl)C)CCC3=Nc4c(NC3=O)cccc4, micromolar IC50=0.007718
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5siv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c2cc1c(nccn1)cc2)(=O)NCc3cccs3, micromolar IC50=>10
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5siw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N2C=C(c1nc(nn1C2(C)O)CCc3nc(nn3C)N4CCCC4)C(F)(F)F, micromolar IC50=0.44215
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5six: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5CC[C@H](C5)F)NC6CCOCC6, micromolar IC50=0.007291
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Gobbi, L., Rudolph, M.G.
PDB entry 5siy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5C[C@@H](CC5)F)N(C6CCOCC6)C, micromolar IC50=0.0050385
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Gobbi, L., Rudolph, M.G.
PDB entry 5siz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(n[nH]1)c2cccnc2)CCNC(c3c(ncc(n3)C4CC4)OC)=O, micromolar IC50=0.249764
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sj0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c([nH]cn1)ncnc2N(C)C3CCCCC3, micromolar IC50=3.41927
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Maurer, M., Rudolph, M.G.
PDB entry 5sj1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)[S@@](Cc3ncc(c(c3C)OC(C)C)C)=O)ncs4, micromolar IC50=0.333158
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5sj2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Cl)c(ncc1)Cl)C(Nc3cc2nc(nn2cc3)c4ccccc4)=O, micromolar IC50=0.02036
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sj3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(N2CCCCC2)=O)c(nn3c4ccc(Cl)cc4)C, micromolar IC50=0.143
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sj4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccccc1)c2cn(C)c(n2)CCC3=Nc4c(C(N3)=O)cnn4C, micromolar IC50=0.04979
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.77 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sj5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(nc(cn1)N)ccc(c2)Cl, micromolar IC50=41.447943
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.49 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Isenring, H., Rudolph, M.G.
PDB entry 5sj6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(nc2N3CCOCC3)Cl, micromolar IC50=1.4973168
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sj7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OC(C)C)C)ncs4, micromolar IC50=0.148637
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.14 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5sj8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(OC)nc2c(c1)nc(c3c(nc(n23)CCC)C)C#N, micromolar IC50=0.013985
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.49 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sj9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(c1)c2ccccc2)CCNC(c3cccn4c(nnc34)C(C)C)=O, micromolar IC50=0.024844
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.39 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sja: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(Nc2cc(nn2C(C)(C)C)C)=O)c(nn3c4ccccc4)COc5ncccc5, micromolar IC50=0.075134
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sjb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1cccn2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.026333
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5sjc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(c(nn1C)C)Cl)C(Nc3nc2nc(cn2cc3)c4ccccc4)=O, micromolar IC50=0.096957
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sjd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccc2)NC(=O)NCCn3c(cc(n3)C)C, micromolar IC50=>8.112831
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sje: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1cccc(c1)[S](=O)(=O)C)C=CC2=O)c3ccnn3c4cccc5c4OC(O5)(F)F, micromolar IC50=0.029598
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rodriguez-Sarmiento, R.M., Rudolph, M.G.
PDB entry 5sjf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3c4c(ncc3)cccc4)c5cc(ccc5)OC(F)(F)F, micromolar IC50=0.002715
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rodriguez-Sarmiento, R.M., Rudolph, M.G.
PDB entry 5sjg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C4CCN(c1cn(c(n1)CCc3nn2c(ncc(c2n3)C)C)C)C4=O, micromolar IC50=0.039238
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sjh: Crystal Structure of human phosphodiesterase 10
Classification: HYDROLASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sji: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(nc([nH]1)c2ccccc2)cc(NC(c3c(cnn3C)Cl)=O)cc4, micromolar IC50=0.169
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Canesso, R., Rudolph, M.G.
PDB entry 5sjj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cc(c1c2NCC)c3cccc(c3)C(F)(F)F)N, micromolar IC50=0.256
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Cai, J., Rudolph, M.G.
PDB entry 5sjk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c([nH]c2c1CCNC2=O)c(ccc3Cl)Cl, micromolar IC50=3.5596173
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.24 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Kyburz, E., Rudolph, M.G.
PDB entry 5sjl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N(C(c1c(cncc1)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O)=O)CC(C)(O)C, micromolar IC50=0.002076
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.64 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sjm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1C(C(=CC(=C1)c2ccncc2)CCc3ccccc3)=O, micromolar IC50=1.981457
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Bleicher, K., Rudolph, M.G.
PDB entry 5sjn: Crystal Structure of human phosphodiesterase 10 in complex with 6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5sjo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3ccc(cc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.041355
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5sjp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCC1)C(=O)c2c(n(nc2)C)C(=O)Nc3cc(nc(c3)C)NC(NC(OCC)=O)=S, micromolar IC50=0.402697
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5sjq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc(ccc1nc(c(n2)C)C)Cl, micromolar IC50=8.35762
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.12 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Kumagai, Y., Rudolph, M.G.
PDB entry 5sjr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(c1ccc(cc1)c2ccccc2OCC)nc3ccc(cc3c4N[C@@H](C(O)=O)C)F)C#N, micromolar IC50=0.0015665
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sjs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)N(C)C)=O, micromolar IC50=0.087803
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.7 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sjt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(N(C)C)=O, micromolar IC50=0.000153
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sju: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc(s1)NC(c2c(ncc(n2)C3CC3)Nc4cncnc4)=O)CN5CCCCC5, micromolar IC50=0.03208
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sjv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4c(c1cn(c(n1)CCc2cccc3nccnc23)C)cccc4, micromolar IC50=0.48281
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.94 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sjw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(Cl)cnn4CC(C)C, micromolar IC50=0.448073
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sjx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(C)nc1c4ccc(OCc3nc2ccccc2cc3)cc4)c5ccncc5, micromolar IC50=0.00070127
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sjy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Br)c(nn1C)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4, micromolar IC50=0.026781
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sjz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCOCC1)C(c2c(n(nc2)C)C(Nc4cc3nc(nn3cc4)N5CCCC5)=O)=O, micromolar IC50=0.0008908
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sk0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N2(c1ccc(cn1)Cl)CC[C@H](C2)NC(c3nn(cc3c4ccncc4)C)=O, micromolar IC50=0.708457
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.02 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sk1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(C(=O)NC)cnn3C)=O)c4ccccc4, micromolar IC50=0.01331975
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sk2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(ccc(c1)c2nc(c(C)o2)CCOc4ncc3ccccc3c4)F, micromolar IC50=0.224356
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.14 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sk3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(cc(c1ccccc1)nc2CCc5nn3c(nc(c3CO)C4CC4)cc5)C, micromolar IC50=0.655585
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sk4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc(cc1N4N=C(c2ccnn2c3ccccc3)C(=O)C=C4C)OC(F)(F)F, micromolar IC50=0.181240
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5sk5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCOCC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000072
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sk6: Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sk7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)N(C)C)Br, micromolar IC50=4.393076
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sk8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(cnn4CCC)Cl, micromolar IC50=0.388979
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sk9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH COc1cccc2nc(Cl)c(C)nc12, micromolar IC50=7.99191
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.82 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Boehringer, M., Rudolph, M.G.
PDB entry 5ska: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3)OCC)C)ncs4, micromolar IC50=0.151839
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.21 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5skb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c23c(c1c(cccc1[nH]2)OC)N=CNC3=O, micromolar IC50=>10
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5skc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C)Nc2cncnc2)C(Nc3nn(cc3)C(C)C)=O, micromolar IC50=0.204685
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.6 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Vieira, E., Rudolph, M.G.
PDB entry 5skd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.047063
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5ske: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1nc(nc(c1Nc2cncnc2)C(Nc3cc(ccc3)OC(F)(F)F)=O)C(C)(C)C, micromolar IC50=0.037955
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5skf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(=NN(C=CC1=O)c2cccc3c2OC(O3)(F)F)c4ccnn4c5cccc(c5)C#N, micromolar IC50=0.080428
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rodriguez-Sarmiento, R.M., Rudolph, M.G.
PDB entry 5skg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)NC(=O)c4cc(nc(c4)NC5CC5)Cl, micromolar IC50=0.0061215
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5skh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.043256
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5ski: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(nc(c1ccccc1)nc2NCc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=0.178156
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5skj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(=O)Nc4ccccc4CC(=O)NC, micromolar IC50=0.053384
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.74 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5skk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)NC(c2c(ncc(n2)[C@@H]3COCC3)Nc4cncnc4)=O)C(=O)NC, micromolar IC50=0.011972
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5skl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(=O)Nc2cc1nc(cn1cc2C#N)c3ccccc3)n(C)nc4)C(=O)N5CCOCC5, micromolar IC50=0.000990
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5skm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@H]3(CCc2nc1ccc(Cl)cc1c(n2)N(C)C)CCN(C3)c4ccccn4, micromolar IC50=0.014172
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.91 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5skn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nccc1C3=NN(c2cccc(c2)NC(=O)C)C=CC3=O)c4ccccc4F, micromolar IC50=0.021094
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sko: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1Nc2cncnc2)C)C(Nc3cccc(c3)c4cn5c(n4)cccc5)=O, micromolar IC50=0.051579
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5skp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(cc(s1)C(N2CCN(CC2)c3c(OC)cccc3)=O)c(nn4c5ccccc5)C, micromolar IC50=0.229
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5skq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(nc3c(c1Sc2ccc(F)cc2)nc[nH]3)N(CC)C, micromolar IC50=0.341
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5skr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1C)NC(c2nn(cc2c3ccncc3)C)=O)c4ncccc4, micromolar IC50=0.124219
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sks: Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-[3-[3-(4-ethoxycarbonyl-5-methyl-imidazol-1-yl)phenoxy]phenyl]-5-methyl-imidazole-4-carboxylate
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Knust, H., Rudolph, M.G.
PDB entry 5skt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C4(COc2cc1nc(nc(c1cc2)N3CCCC3)C)CC4, micromolar IC50=3.1792013
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.02 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sku: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(cc(c(c1nc(c(C)o1)CCOc2ccc(c3ccccc23)C[C@@H](C(O)=O)OC)cc4)OCC)F, micromolar IC50=0.095357
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Binggeli, A., Rudolph, M.G.
PDB entry 5skv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)NCC(C)(O)C)C)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O, micromolar IC50=0.00362043
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.6 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5skw: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1272494722
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.093 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5skx: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z126932614
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.342 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sky: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z466628048
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5skz: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57258487
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57260516
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.001 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl1: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1273312153
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.383 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl2: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z100643660
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.739 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl3: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z223688272
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z383202616
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.936 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.36 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z256709556
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.289 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl7: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1186029914
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.841 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl8: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.07 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sl9: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54571979
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.749 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sla: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003207278
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.7 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slb: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z744930860
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slc: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1849009686
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.668 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sld: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.581 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sle: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56880342
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.009 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slf: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z198195770
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slg: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slh: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z65532537
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.819 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sli: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slj: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1430613393
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slk: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1354370680
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.21 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sll: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z54615640
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.807 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slm: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z28290384
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sln: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57299529
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.208 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slo: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z56983806
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.829 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slp: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.819 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slq: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434829
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.112 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slr: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2073741691
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.86 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sls: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1373445602
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slt: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1816233707
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.901 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slu: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.09 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slv: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434942
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.049 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slw: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1310876699
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slx: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z752989138
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.76 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sly: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1526504764
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.018 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5slz: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.54 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32665176
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.086 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm1: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z68277692
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.941 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm2: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z3006151474
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.781 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm3: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z943693514
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.198 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434807
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
PDB entry 5sm6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-03-03
Authors: Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.