Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4J52
DownloadVisualize
BU of 4j52 by Molmil
Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor
分子名称: 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, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
5S1S
DownloadVisualize
BU of 5s1s by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500
分子名称: 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine, Non-structural protein 3
著者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.
登録日2020-11-02
公開日2021-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5S3S
DownloadVisualize
BU of 5s3s by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0103
分子名称: 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one, Non-structural protein 3
著者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.
登録日2020-11-02
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.039 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5S1O
DownloadVisualize
BU of 5s1o by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928
分子名称: 2H-pyrazolo[3,4-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Non-structural protein 3
著者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.
登録日2020-11-02
公開日2021-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2OR2
DownloadVisualize
BU of 2or2 by Molmil
Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C
分子名称: 1-phosphatidylinositol phosphodiesterase
著者Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2007-02-01
公開日2007-02-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.
J.Biol.Chem., 282, 2007
1CMU
DownloadVisualize
BU of 1cmu by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
登録日1995-04-10
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
1CKO
DownloadVisualize
BU of 1cko by Molmil
STRUCTURE OF MRNA CAPPING ENZYME IN COMPLEX WITH THE CAP ANALOG GPPPG
分子名称: DIGUANOSINE-5'-TRIPHOSPHATE, MRNA CAPPING ENZYME, ZINC ION
著者Hakansson, K, Wigley, D.B.
登録日1997-09-06
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of a complex between a cap analogue and mRNA guanylyl transferase demonstrates the structural chemistry of RNA capping.
Proc.Natl.Acad.Sci.USA, 95, 1998
3L62
DownloadVisualize
BU of 3l62 by Molmil
Crystal structure of substrate-free P450cam at low [K+]
分子名称: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
登録日2009-12-22
公開日2010-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
1E1Y
DownloadVisualize
BU of 1e1y by Molmil
Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site
分子名称: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ...
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
登録日2000-05-11
公開日2000-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Flavopiridol Inhibits Glycogen Phosphorylase by Binding at the Inhibitor Site
J.Biol.Chem., 275, 2000
2D09
DownloadVisualize
BU of 2d09 by Molmil
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
分子名称: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, B, Waterman, M.R.
登録日2005-07-30
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
4J53
DownloadVisualize
BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
分子名称: 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, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
3TT7
DownloadVisualize
BU of 3tt7 by Molmil
Structure of ClpP from Bacillus subtilis in complex with DFP
分子名称: ATP-dependent Clp protease proteolytic subunit, DIISOPROPYL PHOSPHONATE
著者Lee, B.-G, Kim, M.K, Song, H.K.
登録日2011-09-14
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Structural insights into the conformational diversity of ClpP from Bacillus subtilis
Mol.Cells, 32, 2011
1DDL
DownloadVisualize
BU of 1ddl by Molmil
DESMODIUM YELLOW MOTTLE TYMOVIRUS
分子名称: DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3')
著者Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A.
登録日1999-11-10
公開日2000-10-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution.
J.Mol.Biol., 301, 2000
3H2L
DownloadVisualize
BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
分子名称: 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
著者Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
登録日2009-04-14
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2A2U
DownloadVisualize
BU of 2a2u by Molmil
THE CRYSTAL STRUCTURES OF A2U-GLOBULIN AND ITS COMPLEX WITH A HYALINE DROPLET INDUCER.
分子名称: PROTEIN (ALPHA-2U-GLOBULIN)
著者Chaudhuri, B.N, Kleywegt, G.J, Jones, T.A.
登録日1998-11-19
公開日1999-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structures of alpha 2u-globulin and its complex with a hyaline droplet inducer.
Acta Crystallogr.,Sect.D, 55, 1999
4IYB
DownloadVisualize
BU of 4iyb by Molmil
Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose
分子名称: GLYCEROL, Ricin B-like lectin, beta-D-galactopyranose
著者Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D.
登録日2013-01-28
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose
To be Published
2K4K
DownloadVisualize
BU of 2k4k by Molmil
Solution structure of GSP13 from Bacillus subtilis
分子名称: General stress protein 13
著者Yu, W, Yu, B, Hu, J, Jin, C, Xia, B.
登録日2008-06-13
公開日2009-05-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of GSP13 from Bacillus subtilis exhibits an S1 domain related to cold shock proteins.
J.Biomol.Nmr, 43, 2009
5SRW
DownloadVisualize
BU of 5srw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364914118 - (S) isomer
分子名称: Non-structural protein 3, methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRR
DownloadVisualize
BU of 5srr by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4158218973 - (S,S) isomer
分子名称: Non-structural protein 3, [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRY
DownloadVisualize
BU of 5sry by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428218
分子名称: 1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRX
DownloadVisualize
BU of 5srx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562503 - (R) isomer
分子名称: 3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSE
DownloadVisualize
BU of 5sse by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCoD000001aHBe
分子名称: 2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2FVJ
DownloadVisualize
BU of 2fvj by Molmil
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
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
著者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.
登録日2006-01-31
公開日2006-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
1CMT
DownloadVisualize
BU of 1cmt by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
登録日1995-04-11
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2QK8
DownloadVisualize
BU of 2qk8 by Molmil
Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE
著者Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G.
登録日2007-07-10
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon