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7DPV
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SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
分子名称: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
分子名称: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
著者Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
登録日2020-12-21
公開日2021-05-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
分子名称: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, M, Wu, X.
登録日2022-05-28
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
7EGQ
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BU of 7egq by Molmil
Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
著者Yan, L.M, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2021-03-25
公開日2021-07-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading.
Cell, 184, 2021
7EIZ
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Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
著者Yan, L, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2021-04-01
公開日2021-09-22
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY
主引用文献Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Cell, 184, 2021
3EAA
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Structure of a type six secretion system protein
分子名称: EvpC
著者Jobichen, C, Sivaraman, J.
登録日2008-08-25
公開日2009-08-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Structural basis for the secretion of EvpC: a key type VI secretion system protein from Edwardsiella tarda
Plos One, 5, 2010
6IZG
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Solution structure of Ufm1 protein from Trypanosoma brucei
分子名称: Ubiquitin-fold modifier 1
著者Diwu, Y, Tu, X.
登録日2018-12-19
公開日2020-01-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of TbUfm1 from Trypanosoma brucei and its binding to TbUba5.
J.Struct.Biol., 212, 2020
7VNY
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Rba sphaeroides WT RC-LH1 monomer
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ...
著者Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
登録日2021-10-12
公開日2022-06-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
7VXX
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Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine
分子名称: P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B
著者Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C.
登録日2021-11-13
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
7VXY
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Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR
分子名称: Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B
著者Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C.
登録日2021-11-13
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
4LSW
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BU of 4lsw by Molmil
Crystallization and Structural Analysis of 2-Hydroxyacid Dehydrogenase from Ketogulonicigenium vulgare Y25
分子名称: D-2-hydroxyacid dehydrogensase protein
著者Han, X, Liu, X.
登録日2013-07-23
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystallization and structural analysis of 2-hydroxyacid dehydrogenase from Ketogulonicigenium vulgare.
Biotechnol.Lett., 36, 2014
2FRW
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BU of 2frw by Molmil
Solution structure of the second SH3 domain of human adaptor protein NCK2
分子名称: Cytoplasmic protein NCK2
著者Liu, J.
登録日2006-01-20
公開日2006-06-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins
Biochemistry, 45, 2006
2FRY
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BU of 2fry by Molmil
Solution structure of the third SH3 domain of human NCK2 adaptor protein
分子名称: Cytoplasmic protein NCK2
著者Liu, J.
登録日2006-01-20
公開日2006-06-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins
Biochemistry, 45, 2006
7VB9
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Rba sphaeroides PufY-KO RC-LH1 dimer type-2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
登録日2021-08-30
公開日2022-05-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
7VA9
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Rba sphaeroides PufY-KO RC-LH1 dimer type-1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ...
著者Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
登録日2021-08-27
公開日2022-05-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
7VNM
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Rba sphaeroides PufY-KO RC-LH1 monomer
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
登録日2021-10-11
公開日2022-05-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
1HTV
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BU of 1htv by Molmil
CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN
分子名称: INSULIN, ZINC ION
著者Ye, J, Chang, W, Liang, D.
登録日2001-01-01
公開日2001-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of destripeptide (B28-B30) insulin: implications for insulin dissociation.
Biochim.Biophys.Acta, 1547, 2001
7VOY
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BU of 7voy by Molmil
Rba sphaeroides PufX-KO RC-LH1
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
著者Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
登録日2021-10-15
公開日2022-05-04
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
7W75
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BU of 7w75 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form I
分子名称: E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7W76
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Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
分子名称: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
7VTA
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Talaromyces verruculosus talaropentaene synthase apo
分子名称: TvTS cyclase domain
著者Hui, T, Mori, T, Abe, I.
登録日2021-10-28
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of non-squalene triterpenes.
Nature, 606, 2022
7VTB
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Partially closed conformation of talaropentaene synthase cyclase domain
分子名称: NICKEL (II) ION, TvTS cyclase domain
著者Hui, T, Mori, T, Abe, I.
登録日2021-10-28
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of non-squalene triterpenes.
Nature, 606, 2022
6LJJ
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Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ...
著者Liang, R, Peng, G.Q.
登録日2019-12-16
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020

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