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8K79
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Crystal structure of c-SRC kinase domain bound by TPX-0022
分子名称: Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
著者Qu, L.Z, Chen, Y.H.
登録日2023-07-26
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
8K78
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BU of 8k78 by Molmil
Crystal structure of cMET kinase domain bound by TPX-0022
分子名称: Elzovantinib, Hepatocyte growth factor receptor
著者Qu, L.Z, Chen, Y.H.
登録日2023-07-26
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
7YLM
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BU of 7ylm by Molmil
Cryo-EM structure of 8-subunit Smc5/6 hinge region
分子名称: MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5
著者Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2022-07-26
公開日2024-01-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.17 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTX
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BU of 5ktx by Molmil
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
著者Murray, J.M, Boenig, G.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.087 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
2RAC
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BU of 2rac by Molmil
AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS
分子名称: COPPER (I) ION, PROTEIN (AMICYANIN)
著者Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S.
登録日1998-10-02
公開日1998-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
7YQH
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BU of 7yqh by Molmil
Cryo-EM structure of 8-subunit Smc5/6
分子名称: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ...
著者Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2022-08-07
公開日2024-01-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8XC4
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BU of 8xc4 by Molmil
Nipah virus attachment glycoprotein head domain in complex with a broadly neutralizing antibody 1E5
分子名称: 1E5-VH, 1E5-VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, P.F, Yu, C.M, Chen, W.
登録日2023-12-08
公開日2024-01-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
7N5H
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BU of 7n5h by Molmil
Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Casner, R.G, Cerutti, G, Shapiro, L.
登録日2021-06-05
公開日2021-11-03
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
7YMD
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BU of 7ymd by Molmil
Cryo-EM structure of Nse1/3/4
分子名称: Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosomes element 1
著者Qian, L, Jun, Z, Zhenguo, C, Wang, L.
登録日2022-07-28
公開日2024-01-31
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.176 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
1BXA
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BU of 1bxa by Molmil
AMICYANIN REDUCED, PH 4.4, 1.3 ANGSTROMS
分子名称: COPPER (I) ION, PROTEIN (AMICYANIN)
著者Cunane, L.M, Chen, Z.W, Durley, R.C.E, Mathews, F.S.
登録日1998-10-01
公開日1998-10-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
著者Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
登録日2021-08-07
公開日2021-10-20
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
分子名称: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-09
公開日2005-09-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2A4Q
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HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
分子名称: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
著者Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
分子名称: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
登録日2005-09-08
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
1M15
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BU of 1m15 by Molmil
Transition state structure of arginine kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE, MAGNESIUM ION, ...
著者Yousef, M.S, Fabiola, F, Gattis, J.L, Somasundaram, T, Chapman, M.S.
登録日2002-06-17
公開日2002-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights.
Acta Crystallogr.,Sect.D, 58, 2002
6RZ3
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BU of 6rz3 by Molmil
Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP
分子名称: Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION
著者Chen, S, Ren, J, Jones, E.Y, Lu, X.
登録日2019-06-12
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.23 Å)
主引用文献iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition.
Proc.Natl.Acad.Sci.USA, 116, 2019
6L30
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BU of 6l30 by Molmil
Crystal structure of the epithelial cell transforming 2 (ECT2)
分子名称: Protein ECT2
著者Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P.
登録日2019-10-07
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L6L
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BU of 6l6l by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
分子名称: DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ...
著者Jiang, L, Chen, Y.
登録日2019-10-29
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005

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