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6EIL
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BU of 6eil by Molmil
DYRK1A in complex with XMD8-49
分子名称: DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
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BU of 6eij by Molmil
DYRK1A in complex with HG-8-60-1
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY4
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BU of 4zy4 by Molmil
Crystal structure of P21 activated kinase 1 in complex with an inhibitor compound 4
分子名称: 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Rouge, R, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
登録日2014-10-18
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
4U8Y
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BU of 4u8y by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DODECYL-BETA-D-MALTOSIDE, ...
著者Pos, K.M.
登録日2014-08-05
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB.
Elife, 3, 2014
4U95
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BU of 4u95 by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DODECYL-BETA-D-MALTOSIDE, ...
著者Pos, K.M.
登録日2014-08-05
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
eLife, 3, 2014
4U8V
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BU of 4u8v by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DODECYL-BETA-D-MALTOSIDE, ...
著者Pos, K.M.
登録日2014-08-04
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB.
Elife, 3, 2014
4U96
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BU of 4u96 by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: DARPin, DODECYL-BETA-D-MALTOSIDE, Multidrug efflux pump subunit AcrB
著者Pos, K.M.
登録日2014-08-05
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
elife, 3, 2014
3E3R
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BU of 3e3r by Molmil
Crystal structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
分子名称: CALCIUM ION, Calcyphosin
著者Dong, H.
登録日2008-08-07
公開日2008-08-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family
J.Mol.Biol., 383, 2008
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
1RTY
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BU of 1rty by Molmil
Crystal Structure of Bacillus subtilis YvqK, a putative ATP-binding Cobalamin Adenosyltransferase, The North East Structural Genomics Target SR128
分子名称: PHOSPHATE ION, yvqk protein
著者Forouhar, F, Lee, I, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2003-12-10
公開日2003-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1TM0
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BU of 1tm0 by Molmil
Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31
分子名称: PROLINE RACEMASE
著者Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-06-10
公開日2004-06-29
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1SQS
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BU of 1sqs by Molmil
X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27.
分子名称: L(+)-TARTARIC ACID, conserved hypothetical protein
著者Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-03-19
公開日2004-03-30
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM, 8, 2007
4PZA
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BU of 4pza by Molmil
The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate
分子名称: Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-29
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
4PZ9
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BU of 4pz9 by Molmil
The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c
分子名称: Glucosyl-3-phosphoglycerate phosphatase
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-28
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
3SV1
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BU of 3sv1 by Molmil
Crystal structure of APP peptide bound rat Mint2 PARM
分子名称: Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-12
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
3SUZ
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BU of 3suz by Molmil
Crystal structure of Rat Mint2 PPC
分子名称: Amyloid beta A4 precursor protein-binding family A member 2
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-11
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
4QIH
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BU of 4qih by Molmil
The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3
分子名称: Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-05-30
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
2HD3
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BU of 2hd3 by Molmil
Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316
分子名称: Ethanolamine utilization protein eutN
著者Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-19
公開日2006-08-15
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1ZBP
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BU of 1zbp by Molmil
X-Ray Crystal Structure of Protein VPA1032 from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR44
分子名称: hypothetical protein VPA1032
著者Forouhar, F, Yong, W, Vorobiev, S.M, Ciao, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-04-08
公開日2005-04-19
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
7M8E
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BU of 7m8e by Molmil
E.coli RNAP-RapA elongation complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shi, W, Liu, B.
登録日2021-03-29
公開日2021-08-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase.
Nucleic Acids Res., 49, 2021

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