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4N4Q
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BU of 4n4q by Molmil
Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form II
分子名称: Acylneuraminate lyase
著者Georgescauld, F, Popova, K, Gupta, A.J, Bracher, A, Engen, J.R, Hayer-Hartl, M, Hartl, F.U.
登録日2013-10-08
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GroEL/ES Chaperonin Modulates the Mechanism and Accelerates the Rate of TIM-Barrel Domain Folding.
Cell(Cambridge,Mass.), 157, 2014
3FZU
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BU of 3fzu by Molmil
IgG1 Fab characterized by H/D exchange
分子名称: immunoglobulin IgG1 Fab, heavy chain, light chain
著者Arndt, J, Houde, D, Domeier, W, Berkowitz, S, Engen, J.R.
登録日2009-01-26
公開日2009-03-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of IgG1 conformation and conformational dynamics by hydrogen/deuterium exchange mass spectrometry.
Anal Chem, 81, 2009
4N4P
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BU of 4n4p by Molmil
Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form I
分子名称: Acylneuraminate lyase, CHLORIDE ION
著者Georgescauld, F, Popova, K, Gupta, A.J, Bracher, A, Engen, J.R, Hayer-Hartl, M, Hartl, F.U.
登録日2013-10-08
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献GroEL/ES chaperonin modulates the mechanism and accelerates the rate of TIM-barrel domain folding.
Cell(Cambridge,Mass.), 157, 2014
6OA9
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BU of 6oa9 by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 48, ...
著者Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
登録日2019-03-15
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OAA
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Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
著者Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
登録日2019-03-15
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OAB
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BU of 6oab by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
著者Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
登録日2019-03-15
公開日2019-07-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6QA2
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BU of 6qa2 by Molmil
R80A MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: Nucleoside diphosphate kinase, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Dautant, A, Henri, J, Wales, T.E, Meyer, P, Engen, J.R, Georgescauld, F.
登録日2018-12-18
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Remodeling of the Binding Site of Nucleoside Diphosphate Kinase Revealed by X-ray Structure and H/D Exchange.
Biochemistry, 58, 2019
6DBS
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BU of 6dbs by Molmil
Fusion surface structure, function, and dynamics of gamete fusogen HAP2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hapless 2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feng, J, Dong, X, Springer, T.A.
登録日2018-05-03
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Fusion surface structure, function, and dynamics of gamete fusogen HAP2.
Elife, 7, 2018
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
分子名称: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
分子名称: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
8GMB
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BU of 8gmb by Molmil
Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible)
分子名称: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK
著者Lin, D.Y, Andreotti, A.H.
登録日2023-03-24
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
7UY3
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BU of 7uy3 by Molmil
Crystal structure of human Fgr tyrosine kinase in complex with TL02-59
分子名称: 1,2-ETHANEDIOL, 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, ...
著者Du, S, Alvarado, J.J, Smithgall, T.E.
登録日2022-05-06
公開日2022-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
7UY0
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BU of 7uy0 by Molmil
Crystal structure of human Fgr tyrosine kinase in complex with A-419259
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, GLYCEROL, ...
著者Du, S, Alvarado, J.J, Smithgall, T.E.
登録日2022-05-06
公開日2022-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
8S9F
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BU of 8s9f by Molmil
Crystal structure of the kinase domain of Bruton's Tyrosine Kinase bound to dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
著者Lin, D.Y, Andreotti, A.H.
登録日2023-03-28
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
8S93
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BU of 8s93 by Molmil
Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase
分子名称: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ...
著者Lin, D.Y, Andreotti, A.H.
登録日2023-03-27
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
5MW2
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BU of 5mw2 by Molmil
CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802
分子名称: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
著者Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5MW6
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BU of 5mw6 by Molmil
Crystal structure of the BCL6 BTB-domain with compound 1
分子名称: 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein
著者Davies, D.R, Kessler, D.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5MWD
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BU of 5mwd by Molmil
Crystal structure of the BCL6 BTB-domain with compound 2
分子名称: 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein
著者Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
5MUF
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BU of 5muf by Molmil
Crystal structure of human phosphoglycerate mutase family member 5 (PGAM5) in its enzymatically active dodecameric form induced by the presence of the N-terminal WDPNWD motif
分子名称: PHOSPHATE ION, Serine/threonine-protein phosphatase PGAM5, mitochondrial
著者Chaikuad, A, Alfano, I, Picaud, S, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2017-01-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Structure, 25, 2017
7QO5
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BU of 7qo5 by Molmil
26S proteasome Rpt1-RK -Ubp6-UbVS complex in the si state
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-03-16
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
7QO3
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Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-04-13
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
7QO4
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26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS)
分子名称: 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022

 

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