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1WTC
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BU of 1wtc by Molmil
Crystal Structure of S.pombe Serine Racemase complex with AMPPCP
分子名称: Hypothetical protein C320.14 in chromosome III, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Goto, M, Miyahara, I, Hirotsu, K.
登録日2004-11-22
公開日2005-11-01
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a homolog of mammalian serine racemase from Schizosaccharomyces pombe
J.Biol.Chem., 284, 2009
5XW6
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BU of 5xw6 by Molmil
Crystal structure of the chicken ATP-gated P2X7 receptor channel in the presence of competitive antagonist TNP-ATP at 3.1 Angstroms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
著者Kasuya, G, Hattori, M, Nureki, O.
登録日2017-06-29
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into the competitive inhibition of the ATP-gated P2X receptor channel
Nat Commun, 8, 2017
5WHC
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BU of 5whc by Molmil
USP7 in complex with Cpd2 (4-(3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl)phenol)
分子名称: 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-07-16
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.548 Å)
主引用文献Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
J. Med. Chem., 60, 2017
3AQV
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BU of 3aqv by Molmil
Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
著者Handa, N, Takagi, T, Saijo, S, Kishishita, S, Toyama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-11-19
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
5J7T
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BU of 5j7t by Molmil
Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-04-06
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2001 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
2YZA
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BU of 2yza by Molmil
Crystal structure of kinase domain of Human 5'-AMP-activated protein kinase alpha-2 subunit mutant (T172D)
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2
著者Saijo, S, Takagi, T, Yoshikawa, S, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-04
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
2ZV2
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BU of 2zv2 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase kinase 2, beta, CaMKK2 kinase domain in complex with STO-609
分子名称: 7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid, Calcium/calmodulin-dependent protein kinase kinase 2
著者Yoshikawa, S, Kukimoto-niino, M, Shirouzu, M, Suzuki, A, Lee, S, Minokoshi, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-10-31
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the Ca2+/calmodulin-dependent protein kinase kinase in complex with the inhibitor STO-609
J.Biol.Chem., 286, 2011
5JTJ
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BU of 5jtj by Molmil
USP7CD-CTP in complex with Ubiquitin
分子名称: CALCIUM ION, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7,Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-05-09
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.321 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5JTV
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BU of 5jtv by Molmil
USP7CD-UBL45 in complex with Ubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-05-09
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
2ZR8
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BU of 2zr8 by Molmil
Crystal Structure of Modified Serine Racemase complexed with Serine
分子名称: MAGNESIUM ION, N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE, SERINE, ...
著者Goto, M.
登録日2008-08-25
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a homolog of mammalian serine racemase from Schizosaccharomyces pombe
J.Biol.Chem., 284, 2009
5V9P
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BU of 5v9p by Molmil
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5UQV
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BU of 5uqv by Molmil
USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)
分子名称: 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-02-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
5UQX
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BU of 5uqx by Molmil
USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
分子名称: 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-02-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
5V9T
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BU of 5v9t by Molmil
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
分子名称: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3TMO
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BU of 3tmo by Molmil
The catalytic domain of human deubiquitinase DUBA
分子名称: OTU domain-containing protein 5
著者Yin, J, Bosanac, I, Ma, X, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
3TMP
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BU of 3tmp by Molmil
The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde
分子名称: OTU domain-containing protein 5, Polyubiquitin-C
著者Ma, X, Yin, J, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
6BPL
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BU of 6bpl by Molmil
E. coli MsbA in complex with LPS and inhibitor G907
分子名称: (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-23
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
6BPP
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BU of 6bpp by Molmil
E. coli MsbA in complex with LPS and inhibitor G092
分子名称: (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-24
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
5VZY
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BU of 5vzy by Molmil
Crystal structure of crenezumab Fab in complex with Abeta
分子名称: Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain
著者Ultsch, M, Wang, W.
登録日2017-05-29
公開日2017-08-09
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
5VZX
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BU of 5vzx by Molmil
Crystal structure of crenezumab Fab
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ...
著者Ultsch, M, Wang, W.
登録日2017-05-29
公開日2017-08-09
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
2QMV
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BU of 2qmv by Molmil
High Resolution Structure of Peroxisone Proliferation-Activated Receptor gamma and Characterisation of its Interaction with the Co-activator Transcriptional Intermediary Factor 2
分子名称: Peroxisome proliferator-activated receptor gamma
著者Hartl, R, Riepl, H, Kauschke, S, Kalbitzer, H.R, Maurer, T.
登録日2007-07-17
公開日2008-09-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献High Resolution Structure of Peroxisone Proliferation-Activated Receptor gamma and Characterisation of its Interaction with the Co-activator Transcriptional Intermediary Factor 2
To be Published
1QR5
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BU of 1qr5 by Molmil
SOLUTION STRUCTURE OF HISTIDINE CONTAINING PROTEIN (HPR) FROM STAPHYLOCOCCUS CARNOSUS
分子名称: PHOSPHOCARRIER PROTEIN HPR
著者Kalbitzer, H.R, Gorler, A, Li, H, Dubovskii, P.V, Hengstenberg, W, Kowolik, C, Yamada, H, Akasaka, K.
登録日1999-05-19
公開日2000-06-21
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献15N and 1H NMR study of histidine containing protein (HPr) from Staphylococcus carnosus at high pressure.
Protein Sci., 9, 2000
1TXE
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BU of 1txe by Molmil
Solution structure of the active-centre mutant Ile14Ala of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus carnosus
分子名称: Phosphocarrier protein HPr
著者Moeglich, A, Koch, B, Hengstenberg, W, Brunner, E, Kalbitzer, H.R, Structural Proteomics in Europe (SPINE)
登録日2004-07-04
公開日2005-03-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus
Eur.J.Biochem., 271, 2004
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