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PDB: 18 件
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
分子名称: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
著者Stuckey, J.
登録日2017-09-29
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
分子名称: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
著者Stuckey, J.
登録日2021-03-22
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
5UFI
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BU of 5ufi by Molmil
DCN1 bound to DI-591
分子名称: DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
著者Stuckey, J.
登録日2017-01-04
公開日2017-11-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.
Nat Commun, 8, 2017
4MGJ
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BU of 4mgj by Molmil
Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L.
登録日2013-08-28
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
3JWD
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BU of 3jwd by Molmil
Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D HEAVY CHAIN, FAB 48D LIGHT CHAIN, ...
著者Pancera, M, Majeed, S, Ban, Y.A, Chen, L, Huang, C.C, Kong, L, Kwon, Y.D, Stuckey, J, Zhou, T, Robinson, J.E, Schief, W.R, Sodroski, J, Wyatt, R, Kwong, P.D.
登録日2009-09-18
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility.
Proc.Natl.Acad.Sci.USA, 107, 2010
7MSD
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BU of 7msd by Molmil
Structure of EED bound to EEDi-6068
分子名称: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
著者Petrunak, E, Stuckey, J.
登録日2021-05-11
公開日2021-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MSB
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Structure of EED bound to EEDi-4259
分子名称: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
著者Petrunak, E, Stuckey, J.
登録日2021-05-11
公開日2021-10-20
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 EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
5JFE
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BU of 5jfe by Molmil
Flavin-dependent thymidylate synthase with H2-dUMP
分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Sapra, A, Stuckey, J, Palfey, B.
登録日2016-04-19
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase
To Be Published
6CSD
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BU of 6csd by Molmil
V308E mutant of cytochrome P450 2D6 complexed with prinomastat
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
6CSB
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V308E mutant of cytochrome P450 2D6 complexed with thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
2H0G
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BU of 2h0g by Molmil
Crystal Structure of DsbG T200M mutant
分子名称: SULFATE ION, Thiol:disulfide interchange protein dsbG
著者Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A.
登録日2006-05-15
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
2H0H
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BU of 2h0h by Molmil
Crystal Structure of DsbG K113E mutant
分子名称: SULFATE ION, Thiol:disulfide interchange protein dsbG
著者Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A.
登録日2006-05-15
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
2H0I
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BU of 2h0i by Molmil
Crystal Structure of DsbG V216M mutant
分子名称: SULFATE ION, Thiol:disulfide interchange protein dsbG
著者Hiniker, A, Heras, B, Martin, J.L, Stuckey, J, Bardwell, J.C.A.
登録日2006-05-15
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Short-circuiting divergent evolution: laboratory evolution of one disulfide isomerase to resemble another
To be Published
4YJV
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BU of 4yjv by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
分子名称: 3-[6-({4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1H-indazol-1-yl]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250
to be published
4YJU
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249
分子名称: N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJT
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THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233
分子名称: GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJQ
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BU of 4yjq by Molmil
SYK kinase domain in complex with inhibitor GTC000224
分子名称: 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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SYK kinase domain in complex with inhibitor GTC000225
分子名称: 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011

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