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4AAC
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BU of 4aac by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 29
分子名称: CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-12-01
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4P5O
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BU of 4p5o by Molmil
Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action
分子名称: Cullin-1, DCN1-like protein 1, E3 ubiquitin-protein ligase RBX1, ...
著者Scott, D.C, Schulman, B.A.
登録日2014-03-18
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1071 Å)
主引用文献Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8.
Cell, 157, 2014
8B3I
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CRL4CSA-E2-Ub (state 2)
分子名称: Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-8, ...
著者Kokic, G, Cramer, P.
登録日2022-09-16
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献C(N)RL4CSA-E2-Ub (state 2)
To Be Published
3P5K
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BU of 3p5k by Molmil
P38 inhibitor-bound
分子名称: 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.
登録日2010-10-08
公開日2011-11-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
5VHS
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BU of 5vhs by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
登録日2017-04-13
公開日2017-08-23
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
7JJG
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BU of 7jjg by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20
分子名称: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, GLYCEROL, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-07-25
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
5E8I
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BU of 5e8i by Molmil
Crystal structure of the DNA binding domain of human transcription factor FLI1 in complex with a 10-mer DNA ACCGGAAGTG
分子名称: CALCIUM ION, DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ...
著者Hou, C, Tsodikov, O.V.
登録日2015-10-14
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structural Basis for Dimerization and DNA Binding of Transcription Factor FLI1.
Biochemistry, 54, 2015
2FYS
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BU of 2fys by Molmil
Crystal structure of Erk2 complex with KIM peptide derived from MKP3
分子名称: Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1
著者Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y.
登録日2006-02-08
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
3GFC
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BU of 3gfc by Molmil
Crystal Structure of Histone-binding protein RBBP4
分子名称: Histone-binding protein RBBP4
著者Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-02-26
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
4AA5
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BU of 4aa5 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 33
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
8E4H
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BU of 8e4h by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-18
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8ODR
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BU of 8odr by Molmil
Mimetic of UBC9-SUMO1
分子名称: SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1
著者Coste, F, Goffinont, S, Suskiewicz, M.J.
登録日2023-03-09
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
6ASY
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BU of 6asy by Molmil
BiP-ATP2
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
登録日2017-08-26
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
4PE5
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BU of 4pe5 by Molmil
Crystal Structure of GluN1a/GluN2B NMDA Receptor Ion Channel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, ...
著者Karakas, E, Furukawa, H.
登録日2014-04-22
公開日2014-06-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Crystal structure of a heterotetrameric NMDA receptor ion channel.
Science, 344, 2014
5A0F
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BU of 5a0f by Molmil
Crystal structure of Yersinia Afp18-modified RhoA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Jank, T, Schimpl, M, van Aalten, D.M.
登録日2015-04-20
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tyrosine glycosylation of Rho by Yersinia toxin impairs blastomere cell behaviour in zebrafish embryos.
Nat Commun, 6, 2015
7U0T
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BU of 7u0t by Molmil
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
分子名称: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
2ARO
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BU of 2aro by Molmil
Crystal Structure Of The Native Histone Octamer To 2.1 Angstrom Resolution, Crystalised In The Presence Of S-Nitrosoglutathione
分子名称: CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ...
著者Wood, C.M, Sodngam, S, Nicholson, J.M, Lambert, S.J, Reynolds, C.D, Baldwin, J.P.
登録日2005-08-20
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The oxidised histone octamer does not form a H3 disulphide bond.
Biochim.Biophys.Acta, 1764, 2006
3ZSG
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BU of 3zsg by Molmil
X-ray structure of p38alpha bound to TAK-715
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside
著者Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A.
登録日2011-06-28
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
2GPH
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BU of 2gph by Molmil
Docking motif interactions in the MAP kinase ERK2
分子名称: Mitogen-activated protein kinase 1, Tyrosine-protein phosphatase non-receptor type 7
著者Zhou, T, Sun, L, Humphreys, J, Goldsmith, E.J.
登録日2006-04-17
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Docking Interactions Induce Exposure of Activation Loop in the MAP Kinase ERK2.
Structure, 14, 2006
3ZSH
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BU of 3zsh by Molmil
X-ray structure of p38alpha bound to SCIO-469
分子名称: 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside
著者Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A.
登録日2011-06-28
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
2OQQ
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BU of 2oqq by Molmil
Crystal structure of HY5 leucine zipper homodimer from Arabidopsis thaliana
分子名称: Transcription factor HY5
著者Yoon, M.-K, Kim, H.M, Choi, G, Lee, J.-O, Choi, B.-S.
登録日2007-02-01
公開日2007-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the conformational integrity of the Arabidopsis thaliana HY5 leucine zipper homodimer.
J.Biol.Chem., 282, 2007
7JTC
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BU of 7jtc by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
分子名称: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-08-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
To Be Published
7JSP
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BU of 7jsp by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
分子名称: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-08-15
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
5EZ6
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BU of 5ez6 by Molmil
Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L.
登録日2015-11-26
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
To Be Published
3IH7
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BU of 3ih7 by Molmil
Crystal structure of catalytically active human 8-oxoguanine glycosylase distally crosslinked to guanine-containing DNA
分子名称: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', 5'-D(AP*TP*CP*TP*GP*GP*AP*CP*CP*TP*GP*CP*A)-3', N-glycosylase/DNA lyase
著者Verdine, G.L, Crenshaw, C.M, Oo, K.S, Kutchukian, P.S.
登録日2009-07-29
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Catalytic Checkpoint in Base Excision by the Human 8-Oxoguanine DNA Glycosylase hOGG1
To be Published

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件を2024-08-07に公開中

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