4J52
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![BU of 4j52 by Molmil](/molmil-images/mine/4j52) | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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5S1S
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![BU of 5s1s by Molmil](/molmil-images/mine/5s1s) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500 | Descriptor: | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3S
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![BU of 5s3s by Molmil](/molmil-images/mine/5s3s) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0103 | Descriptor: | 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.039 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S1O
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![BU of 5s1o by Molmil](/molmil-images/mine/5s1o) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928 | Descriptor: | 2H-pyrazolo[3,4-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2OR2
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![BU of 2or2 by Molmil](/molmil-images/mine/2or2) | Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C | Descriptor: | 1-phosphatidylinositol phosphodiesterase | Authors: | Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2007-02-01 | Release date: | 2007-02-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C. J.Biol.Chem., 282, 2007
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1CMU
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![BU of 1cmu by Molmil](/molmil-images/mine/1cmu) | THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-04-10 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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1CKO
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![BU of 1cko by Molmil](/molmil-images/mine/1cko) | |
3L62
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![BU of 3l62 by Molmil](/molmil-images/mine/3l62) | Crystal structure of substrate-free P450cam at low [K+] | Descriptor: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | Deposit date: | 2009-12-22 | Release date: | 2010-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
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1E1Y
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![BU of 1e1y by Molmil](/molmil-images/mine/1e1y) | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-05-11 | Release date: | 2000-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Flavopiridol Inhibits Glycogen Phosphorylase by Binding at the Inhibitor Site J.Biol.Chem., 275, 2000
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2D09
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![BU of 2d09 by Molmil](/molmil-images/mine/2d09) | |
4J53
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![BU of 4j53 by Molmil](/molmil-images/mine/4j53) | Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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3TT7
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![BU of 3tt7 by Molmil](/molmil-images/mine/3tt7) | |
1DDL
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![BU of 1ddl by Molmil](/molmil-images/mine/1ddl) | DESMODIUM YELLOW MOTTLE TYMOVIRUS | Descriptor: | DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A. | Deposit date: | 1999-11-10 | Release date: | 2000-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution. J.Mol.Biol., 301, 2000
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3H2L
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![BU of 3h2l by Molmil](/molmil-images/mine/3h2l) | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | Deposit date: | 2009-04-14 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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2A2U
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![BU of 2a2u by Molmil](/molmil-images/mine/2a2u) | |
4IYB
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![BU of 4iyb by Molmil](/molmil-images/mine/4iyb) | Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose | Descriptor: | GLYCEROL, Ricin B-like lectin, beta-D-galactopyranose | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | Deposit date: | 2013-01-28 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose To be Published
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2K4K
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![BU of 2k4k by Molmil](/molmil-images/mine/2k4k) | Solution structure of GSP13 from Bacillus subtilis | Descriptor: | General stress protein 13 | Authors: | Yu, W, Yu, B, Hu, J, Jin, C, Xia, B. | Deposit date: | 2008-06-13 | Release date: | 2009-05-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of GSP13 from Bacillus subtilis exhibits an S1 domain related to cold shock proteins. J.Biomol.Nmr, 43, 2009
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5SRW
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![BU of 5srw by Molmil](/molmil-images/mine/5srw) | |
5SRR
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![BU of 5srr by Molmil](/molmil-images/mine/5srr) | |
5SRY
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![BU of 5sry by Molmil](/molmil-images/mine/5sry) | |
5SRX
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![BU of 5srx by Molmil](/molmil-images/mine/5srx) | |
5SSE
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![BU of 5sse by Molmil](/molmil-images/mine/5sse) | |
2FVJ
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![BU of 2fvj by Molmil](/molmil-images/mine/2fvj) | A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M. | Deposit date: | 2006-01-31 | Release date: | 2006-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro Mol.Endocrinol., 20, 2006
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1CMT
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![BU of 1cmt by Molmil](/molmil-images/mine/1cmt) | THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-04-11 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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2QK8
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![BU of 2qk8 by Molmil](/molmil-images/mine/2qk8) | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, METHOTREXATE | Authors: | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | Deposit date: | 2007-07-10 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase. J.Med.Chem., 50, 2007
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