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4XOZ
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BU of 4xoz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XRL
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BU of 4xrl by Molmil
Crystal structure at room temperature of Erk2 in complex with an inhibitor
分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-21
公開日2016-03-23
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
5KE0
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BU of 5ke0 by Molmil
Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers
分子名称: 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Lim, J.
登録日2016-06-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
4XOY
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BU of 4xoy by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XP0
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BU of 4xp0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-16
公開日2015-08-12
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
2IW6
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BU of 2iw6 by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ...
著者Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
登録日2006-06-26
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
4XRJ
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BU of 4xrj by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-21
公開日2015-08-12
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
2J9M
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BU of 2j9m by Molmil
Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine
分子名称: 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE, CELL DIVISION PROTEIN KINASE 2
著者Schaefer, M, Luecking, U, Siemeister, G, Briem, H, Krueger, M, Lienau, P, Jautelat, R.
登録日2006-11-13
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Macrocyclic Aminopyrimidines as Multitarget Cdk and Vegf-R Inhibitors with Potent Antiproliferative Activities.
Chemmedchem, 2, 2007
1LEZ
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BU of 1lez by Molmil
CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B
分子名称: MAP kinase kinase 3b, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J.
登録日2002-04-10
公開日2002-07-10
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b.
Mol.Cell, 9, 2002
4A8M
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BU of 4a8m by Molmil
Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation
分子名称: 5'-D(*AP*AP*TP*CP)-3', ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M.
登録日2011-11-21
公開日2012-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
2EFR
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BU of 2efr by Molmil
Crystal structure of the c-terminal tropomyosin fragment with N- and C-terminal extensions of the leucine zipper at 1.8 angstroms resolution
分子名称: General control protein GCN4 and Tropomyosin 1 alpha chain
著者Minakata, S, Nitanai, Y, Maeda, K, Oda, N, Wakabayashi, K, Maeda, Y.
登録日2007-02-23
公開日2008-03-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two crystal structures of tropomyosin C-terminal fragment 176-273: exposure of the hydrophobic core to the solvent destabilizes the tropomyosin molecule
To be Published
4A8W
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BU of 4a8w by Molmil
Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation
分子名称: 5'-D(*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M.
登録日2011-11-21
公開日2012-07-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
2CGN
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BU of 2cgn by Molmil
FACTOR INHIBITING HIF-1 ALPHA with succinate
分子名称: FE (III) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, SUCCINIC ACID, ...
著者McDonough, M.A, Clifton, I.J, Schofield, C.J.
登録日2006-03-09
公開日2006-12-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
2C9C
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BU of 2c9c by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
著者Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
登録日2005-12-09
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
分子名称: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-11
公開日2013-02-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
1RB6
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BU of 1rb6 by Molmil
ANTIPARALLEL TRIMER OF GCN4-LEUCINE ZIPPER CORE MUTANT AS N16A TETRAGONAL FORM
分子名称: CHLORIDE ION, General control protein GCN4, POTASSIUM ION
著者Holton, J, Alber, T.
登録日2003-11-01
公開日2004-01-13
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Automated protein crystal structure determination using ELVES.
Proc.Natl.Acad.Sci.USA, 101, 2004
2C98
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BU of 2c98 by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
分子名称: ADENOSINE-5'-DIPHOSPHATE, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
著者Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
登録日2005-12-09
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
2C99
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BU of 2c99 by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
著者Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
登録日2005-12-09
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
2C96
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BU of 2c96 by Molmil
Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PSP OPERON TRANSCRIPTIONAL ACTIVATOR
著者Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X.
登録日2005-12-09
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
3T6N
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BU of 3t6n by Molmil
Crystal Structure of Transcriptional Regulator
分子名称: Transcriptional regulator
著者Do, S.V, Bolla, J.R, Chen, X, Yu, E.W.
登録日2011-07-28
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Crystal Structure of the Rv3066 Transcriptional Regulator from Mycobacterium tuberculosis
To be Published
1LEW
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BU of 1lew by Molmil
CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A
分子名称: Mitogen-activated protein kinase 14, Myocyte-specific enhancer factor 2A
著者Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J.
登録日2002-04-10
公開日2002-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b.
Mol.Cell, 9, 2002
2IW9
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BU of 2iw9 by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MAGNESIUM ION, ...
著者Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
登録日2006-06-27
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
2IW8
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BU of 2iw8 by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, MONOTHIOGLYCEROL, ...
著者Pratt, D.J, Bentley, J, Jewsbury, P, Boyle, F.T, Endicott, J.A, Noble, M.E.M.
登録日2006-06-27
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dissecting the Determinants of Cyclin-Dependent Kinase 2 and Cyclin-Dependent Kinase 4 Inhibitor Selectivity.
J.Med.Chem., 49, 2006
7FTL
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BU of 7ftl by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
分子名称: (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
5IFE
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BU of 5ife by Molmil
Crystal structure of the human SF3b core complex
分子名称: PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ...
著者Cretu, C, Dybkov, O, De Laurentiis, E, Will, C.L, Luhrmann, R, Pena, V.
登録日2016-02-25
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations.
Mol.Cell, 64, 2016

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