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7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
Descriptor: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
Descriptor: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Lu, M, Wu, X.
Deposit date:2022-05-28
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
Descriptor: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
Authors: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.
Deposit date:2021-03-25
Release date:2021-07-21
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite: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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BU of 7eiz by Molmil
Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Descriptor: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
Authors: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.
Deposit date:2021-04-01
Release date:2021-09-22
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY
Cite: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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BU of 3eaa by Molmil
Structure of a type six secretion system protein
Descriptor: EvpC
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2008-08-25
Release date:2009-08-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.794 Å)
Cite: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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BU of 6izg by Molmil
Solution structure of Ufm1 protein from Trypanosoma brucei
Descriptor: Ubiquitin-fold modifier 1
Authors:Diwu, Y, Tu, X.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of TbUfm1 from Trypanosoma brucei and its binding to TbUba5.
J.Struct.Biol., 212, 2020
7VNY
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BU of 7vny by Molmil
Rba sphaeroides WT RC-LH1 monomer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-10-12
Release date:2022-06-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite: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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BU of 7vxx by Molmil
Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine
Descriptor: P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B
Authors:Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C.
Deposit date:2021-11-13
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
7VXY
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BU of 7vxy by Molmil
Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR
Descriptor: Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B
Authors:Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C.
Deposit date:2021-11-13
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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
Descriptor: D-2-hydroxyacid dehydrogensase protein
Authors:Han, X, Liu, X.
Deposit date:2013-07-23
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK2
Authors:Liu, J.
Deposit date:2006-01-20
Release date:2006-06-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: Cytoplasmic protein NCK2
Authors:Liu, J.
Deposit date:2006-01-20
Release date:2006-06-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins
Biochemistry, 45, 2006
7VB9
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BU of 7vb9 by Molmil
Rba sphaeroides PufY-KO RC-LH1 dimer type-2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-08-30
Release date:2022-05-04
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite: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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BU of 7va9 by Molmil
Rba sphaeroides PufY-KO RC-LH1 dimer type-1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-08-27
Release date:2022-05-04
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite: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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BU of 7vnm by Molmil
Rba sphaeroides PufY-KO RC-LH1 monomer
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-10-11
Release date:2022-05-04
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite: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
Descriptor: INSULIN, ZINC ION
Authors:Ye, J, Chang, W, Liang, D.
Deposit date:2001-01-01
Release date:2001-05-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
Authors:Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M.
Deposit date:2021-10-15
Release date:2022-05-04
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2
Authors:Shi, M, Zhao, J, Xiang, S.
Deposit date:2021-12-03
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7W76
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BU of 7w76 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
Descriptor: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
Authors:Shi, M, Zhao, J, Xiang, S.
Deposit date:2021-12-03
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor: 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
Authors:Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
Deposit date:2011-04-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite: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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BU of 7vta by Molmil
Talaromyces verruculosus talaropentaene synthase apo
Descriptor: TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7VTB
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BU of 7vtb by Molmil
Partially closed conformation of talaropentaene synthase cyclase domain
Descriptor: NICKEL (II) ION, TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
6LJJ
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BU of 6ljj by Molmil
Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ...
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-16
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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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数据于2024-10-16公开中

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