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6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6BA2
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Crystal structure of MYST acetyltransferase domain in complex with inhibitor
分子名称: 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-11
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.85003817 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
分子名称: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
著者Liu, S.M, Wang, J.
登録日2023-02-17
公開日2023-07-12
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (7.09 Å)
主引用文献Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
6BA4
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Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
分子名称: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-12
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
4Y18
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BU of 4y18 by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Wu, Q, Blundell, T.L.
登録日2015-02-06
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
4Y2G
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BU of 4y2g by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Wu, Q, Blundell, T.L.
登録日2015-02-09
公開日2016-01-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
7NXA
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Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXB
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Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX6
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Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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BU of 7nxc by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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BU of 7nx9 by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
5J87
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Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
3W95
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Crystal structure of 2A proteinase (C110A) from enterovirus 71
分子名称: Genome polyprotein, ZINC ION
著者Mu, Z, Gao, X, Cui, S.
登録日2013-03-27
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of 2A Proteinase from Hand, Foot and Mouth Disease Virus
J.Mol.Biol., 425, 2013
7BP4
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Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASP-ASP-ASP-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP6
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BU of 7bp6 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: Histone H2A.6, Histone H2B.1, NRP1-CTAD
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
8PIL
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E. coli transcription complex paused at ops site and bound to RfaH and NusA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-22
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
8PDY
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E. coli RNA polymerase paused at ops site
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-13
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
8PFG
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autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex), not fully complementary scaffold
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-15
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
8PFJ
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fully recruited RfaH bound to E. coli transcription complex paused at ops site (not fully complementary scaffold; alternative state of RfaH)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-16
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
8PIB
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autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter 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Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-21
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
8PID
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backtracked E. coli transcription complex paused at ops site and bound to RfaH
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
登録日2023-06-21
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024

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