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6XBU
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BU of 6xbu by Molmil
polymerase domain of polymerase-theta
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ...
著者Chen, X, Pomerantz, R, Zhao, J.
登録日2020-06-07
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
4DT6
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BU of 4dt6 by Molmil
Co-crystal structure of eIF4E with inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ...
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-20
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, L.I, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
6UBF
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BU of 6ubf by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*C*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.H.
登録日2019-09-11
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.597 Å)
主引用文献Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
7SI1
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BU of 7si1 by Molmil
Crystal structure of apo EGFR kinase domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION
著者Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J.
登録日2021-10-12
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7SHV
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BU of 7shv by Molmil
Crystal structure of BRAF kinase domain bound to GDC0879
分子名称: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Kung, J.E, Sudhamsu, J.
登録日2021-10-11
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
6AIB
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BU of 6aib by Molmil
Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA
分子名称: DEAD-box ATP-dependent RNA helicase CshA
著者Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z.
登録日2018-08-22
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6AIC
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BU of 6aic by Molmil
Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA
著者Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z.
登録日2018-08-22
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6KSB
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BU of 6ksb by Molmil
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2019-08-23
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ7
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BU of 6lq7 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C17CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-13
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ3
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BU of 6lq3 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C12CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LPY
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BU of 6lpy by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C4CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ5
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BU of 6lq5 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-13
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ6
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BU of 6lq6 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C20CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-13
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ1
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BU of 6lq1 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C8CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ4
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BU of 6lq4 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C14CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-13
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ0
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BU of 6lq0 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C6CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ2
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BU of 6lq2 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C10CoA
分子名称: Acyl-CoA dehydrogenase, COENZYME A, DECANOIC ACID, ...
著者Liu, X, Chen, X.B.
登録日2020-01-12
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
4RXZ
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BU of 4rxz by Molmil
Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide
分子名称: 12-MER PEPTIDE INHIBITOR, Protein Mdm4
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-12-12
公開日2015-07-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of how stress-induced MDMX phosphorylation activates p53.
Oncogene, 35, 2016
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
6J67
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BU of 6j67 by Molmil
Crystal structure of the compound 34 in a complex with TRF2
分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2
著者Chen, Y, Yang, Y, Lei, M.
登録日2019-01-14
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018

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