Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 387 件
6ALJ
DownloadVisualize
BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
分子名称: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-08-08
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5H
DownloadVisualize
BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
DownloadVisualize
BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5G
DownloadVisualize
BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
3KIN
DownloadVisualize
BU of 3kin by Molmil
KINESIN (DIMERIC) FROM RATTUS NORVEGICUS
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN
著者Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E.
登録日1997-08-25
公開日1998-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The crystal structure of dimeric kinesin and implications for microtubule-dependent motility.
Cell(Cambridge,Mass.), 91, 1997
6VNB
DownloadVisualize
BU of 6vnb by Molmil
JAK2 JH1 in complex with BL2-084
分子名称: (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNE
DownloadVisualize
BU of 6vne by Molmil
JAK2 JH1 in complex with Fedratinib
分子名称: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNC
DownloadVisualize
BU of 6vnc by Molmil
JAK2 JH1 in complex with BL2-096
分子名称: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNG
DownloadVisualize
BU of 6vng by Molmil
JAK2 JH1 in complex with PN2-118
分子名称: N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNH
DownloadVisualize
BU of 6vnh by Molmil
JAK2 JH1 in complex with PN2-123
分子名称: N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNF
DownloadVisualize
BU of 6vnf by Molmil
JAK2 JH1 in complex with MA9-086
分子名称: N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VN8
DownloadVisualize
BU of 6vn8 by Molmil
JAK2 JH1 in complex with baricitinib
分子名称: Baricitinib, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNJ
DownloadVisualize
BU of 6vnj by Molmil
JAK2 JH1 in complex with PN4-014
分子名称: 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNM
DownloadVisualize
BU of 6vnm by Molmil
JAK2 JH1 in complex with SY5-103
分子名称: 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNI
DownloadVisualize
BU of 6vni by Molmil
JAK2 JH1 in complex with PN3-115
分子名称: 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNL
DownloadVisualize
BU of 6vnl by Molmil
JAK2 JH1 in complex with SG3-179
分子名称: 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNK
DownloadVisualize
BU of 6vnk by Molmil
JAK2 JH1 in complex with PN4-073
分子名称: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VS3
DownloadVisualize
BU of 6vs3 by Molmil
JAK2 JH1 in complex with BL2-057
分子名称: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-02-10
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VSN
DownloadVisualize
BU of 6vsn by Molmil
JAK2 JH1 in complex with BL2-110
分子名称: (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-02-11
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
1RYW
DownloadVisualize
BU of 1ryw by Molmil
C115S MurA liganded with reaction products
分子名称: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Eschenburg, S, Schonbrunn, E.
登録日2003-12-22
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence That the Fosfomycin Target Cys115 in UDP-N-acetylglucosamine Enolpyruvyl Transferase (MurA) Is Essential for Product Release.
J.Biol.Chem., 280, 2005
2AA9
DownloadVisualize
BU of 2aa9 by Molmil
EPSP synthase liganded with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
著者Priestman, M.A, Healy, M.L, Funke, T, Becker, A, Schonbrunn, E.
登録日2005-07-13
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis for the glyphosate-insensitivity of the reaction of 5-enolpyruvylshikimate 3-phosphate synthase with shikimate.
Febs Lett., 579, 2005
1YBG
DownloadVisualize
BU of 1ybg by Molmil
MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid
分子名称: N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Eschenburg, S, Priestman, M.A, Abdul-Latif, F.A, Delachaume, C, Fassy, F, Schonbrunn, E.
登録日2004-12-20
公開日2005-02-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Novel Inhibitor That Suspends the Induced Fit Mechanism of UDP-N-acetylglucosamine Enolpyruvyl Transferase (MurA).
J.Biol.Chem., 280, 2005
1Q3G
DownloadVisualize
BU of 1q3g by Molmil
MurA (Asp305Ala) liganded with tetrahedral reaction intermediate
分子名称: 1,2-ETHANEDIOL, 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E.
登録日2003-07-29
公開日2003-12-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
1Q36
DownloadVisualize
BU of 1q36 by Molmil
EPSP synthase (Asp313Ala) liganded with tetrahedral reaction intermediate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID, FORMIC ACID
著者Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E.
登録日2003-07-28
公開日2003-12-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
1ZCM
DownloadVisualize
BU of 1zcm by Molmil
Human calpain protease core inhibited by ZLLYCH2F
分子名称: CALCIUM ION, Calpain 1, large [catalytic] subunit, ...
著者Li, Q, Hanzlik, R.P, Weaver, R.F, Schonbrunn, E.
登録日2005-04-12
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mode of action of a covalently inhibiting peptidomimetic on the human calpain protease core
Biochemistry, 45, 2006

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon