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6BVB
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Crystal structure of HIF-2alpha-pVHL-elongin B-elongin C
分子名称: Elongin-B, Elongin-C, Hypoxia-Inducible Factor 2 alpha, ...
著者Tarade, D, Ohh, M, Lee, J.E.
登録日2017-12-12
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献HIF-2 alpha-pVHL complex reveals broad genotype-phenotype correlations in HIF-2 alpha-driven disease.
Nat Commun, 9, 2018
7UD5
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BU of 7ud5 by Molmil
Complex between MLL1-WRAD and an H2B-ubiquitinated nucleosome
分子名称: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
著者Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C.
登録日2022-03-18
公開日2022-09-21
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SII
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Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53)
分子名称: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP
著者Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X.
登録日2021-10-14
公開日2022-02-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Activation of STING by targeting a pocket in the transmembrane domain.
Nature, 604, 2022
4R3C
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BU of 4r3c by Molmil
Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ...
著者Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M.
登録日2014-08-14
公開日2015-02-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
7QNZ
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human Lig1-DNA-PCNA complex reconstituted in absence of ATP
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ...
著者Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A.
登録日2021-12-23
公開日2023-01-11
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.58 Å)
主引用文献Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
1RM1
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BU of 1rm1 by Molmil
Structure of a Yeast TFIIA/TBP/TATA-box DNA Complex
分子名称: 5'-D(*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*AP*TP*AP*AP*AP*AP*CP*G)-3', 5'-D(P*CP*GP*TP*TP*TP*TP*AP*TP*AP*TP*CP*GP*AP*TP*CP*GP*AP*T)-3', TATA-box binding protein, ...
著者Jin, X, Gewirth, D.T, Geiger, J.H.
登録日2003-11-26
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High Resolution Structure of a Yeast TFIIA/TBP/TATA-box DNA Complex
TO BE PUBLISHED
8PKJ
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Cryo-EM structure of the nucleosome containing Nr5a2 motif at SHL+5.5
分子名称: DNA, Histone H2A, Histone H2B, ...
著者Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
登録日2023-06-26
公開日2024-02-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 31, 2024
8PKI
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Cryo-EM structure of NR5A2-nucleosome complex SHL+5.5
分子名称: DNA, Histone H2A, Histone H2B type 1-C/E/G, ...
著者Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
登録日2023-06-26
公開日2024-02-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 31, 2024
5NHL
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Human Erk2 with an Erk1/2 inhibitor
分子名称: (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-21
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
6WCQ
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Structure of a substrate-bound DQC ubiquitin ligase
分子名称: Cullin-1, F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, ...
著者Mena, E.L, Jevtic, P, Greber, B.J, Gee, C.L, Lew, B.G, Akopian, D, Nogales, E, Kuriyan, J, Rape, M.
登録日2020-03-31
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Structural basis for dimerization quality control.
Nature, 586, 2020
5NHH
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Human Erk2 with an Erk1/2 inhibitor
分子名称: 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-21
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NHO
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Human Erk2 with an Erk1/2 inhibitor
分子名称: (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-22
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NHV
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Human Erk2 with an Erk1/2 inhibitor
分子名称: 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-22
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NGU
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BU of 5ngu by Molmil
Human Erk2 with an Erk1/2 inhibitor
分子名称: 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-20
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
3ZSI
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BU of 3zsi by Molmil
X-ray structure of p38alpha bound to VX-745
分子名称: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, 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 (2.4 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
3ZS5
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Structural basis for kinase selectivity of three clinical p38alpha inhibitors
分子名称: 1,2-ETHANEDIOL, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MITOGEN-ACTIVATED PROTEIN KINASE 14, ...
著者Azevedo, R, van Zeeland, M, Raaijmakers, H.C.A, Kazemier, B, Oubrie, A.
登録日2011-06-23
公開日2012-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 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
3ZSH
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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
1YTF
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BU of 1ytf by Molmil
YEAST TFIIA/TBP/DNA COMPLEX
分子名称: DNA (5'-D(*GP*TP*TP*TP*TP*AP*TP*AP*TP*AP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*TP*AP*TP*AP*TP*AP*AP*AP*AP*C)-3'), PROTEIN (TATA BINDING PROTEIN (TBP)), ...
著者Tan, S, Hunziker, Y, Sargent, D.F, Richmond, T.J.
登録日1996-04-05
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a yeast TFIIA/TBP/DNA complex.
Nature, 381, 1996
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
3ZYA
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Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone
分子名称: 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Romir, J, Koeberle, S.C, Laufer, S.A, Stehle, T.
登録日2011-08-18
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Skepinone-L is a Selective P38 Mitogen-Activated Protein Kinase Inhibitor.
Nat.Chem.Biol., 8, 2011
3KJL
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BU of 3kjl by Molmil
Sgf11:Sus1 complex
分子名称: Protein SUS1, SAGA-associated factor 11
著者Stewart, M, Ellisdon, A.M.
登録日2009-11-03
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1.
J.Biol.Chem., 285, 2010
5HLF
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR
分子名称: DNA (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Exploring the role of the alpha-carboxyphosphonate moiety in the HIV-RT activity of alpha-carboxy nucleoside phosphonates.
Org.Biomol.Chem., 14, 2016
5HQ8
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Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2016-01-21
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
分子名称: CHLORIDE ION, Inhibin beta A chain
著者Wang, X, Fischer, G, Hyvonen, M.
登録日2016-01-15
公開日2016-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structure and activation of pro-activin A.
Nat Commun, 7, 2016
5OVN
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Crystal Structure of FIV Reverse Transcriptase
分子名称: POL protein
著者Galilee, M, Alian, A.
登録日2017-08-29
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.942 Å)
主引用文献The structure of FIV reverse transcriptase and its implications for non-nucleoside inhibitor resistance.
PLoS Pathog., 14, 2018

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