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8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
分子名称: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
著者Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2023-01-16
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
6CKL
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BU of 6ckl by Molmil
N. meningitidis CMP-sialic acid synthetase in the presence of CMP and Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, CITRATE ANION, ...
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.684 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
8I8A
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BU of 8i8a by Molmil
Cryo-EM structure of the major capsid protein VP39 of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
分子名称: Major viral capsid protein
著者Jia, X, Zhang, Q.
登録日2023-02-03
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
4GO7
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BU of 4go7 by Molmil
The regulatory subunit of aspartate kinase in complex with threonine from Mycobacterium tuberculosis
分子名称: Aspartokinase, THREONINE
著者Yang, Q, Li, X.
登録日2012-08-19
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural view of the regulatory subunit of aspartate kinase from Mycobacterium tuberculosis.
Protein Cell, 2, 2011
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-22
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
6CCG
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BU of 6ccg by Molmil
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
分子名称: DNA, Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION
著者Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-07
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
5Y10
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BU of 5y10 by Molmil
SFTSV Gn head domain
分子名称: Membrane glycoprotein polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
登録日2017-07-19
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CKJ
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BU of 6ckj by Molmil
N. meningitidis CMP-sialic acid synthetase, ligand-free
分子名称: ACETATE ION, CALCIUM ION, N-acylneuraminate cytidylyltransferase
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
3M45
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BU of 3m45 by Molmil
Crystal structure of Ig1 domain of mouse SynCAM 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell adhesion molecule 2
著者Yue, L, Modis, Y.
登録日2010-03-10
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献N-glycosylation at the SynCAM (synaptic cell adhesion molecule) immunoglobulin interface modulates synaptic adhesion.
J.Biol.Chem., 285, 2010
4RAY
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BU of 4ray by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Apo-Fur
分子名称: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
著者Deng, Z, Liu, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
分子名称: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Wang, Q, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
分子名称: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
著者Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-11-30
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
分子名称: Beclin-1, UV radiation resistance associated protein
著者Pan, X, Zhao, Y, He, Y.
登録日2017-11-08
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7V8G
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BU of 7v8g by Molmil
Crystal structure of HOIP RING1 domain bound to IpaH1.4 LRR domain
分子名称: E3 ubiquitin-protein ligase RNF31, RING-type E3 ubiquitin transferase, ZINC ION
著者Liu, J, Wang, Y, Pan, L.
登録日2021-08-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8E
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BU of 7v8e by Molmil
Crystal structure of IpaH1.4 LRR domain bound to HOIL-1L UBL domain.
分子名称: RING-type E3 ubiquitin transferase, RanBP-type and C3HC4-type zinc finger-containing protein 1
著者Liu, J, Wang, Y, Pan, L.
登録日2021-08-22
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8F
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BU of 7v8f by Molmil
Crystal structure of UBE2L3 bound to HOIP RING1 domain.
分子名称: E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION
著者Liu, J, Wang, Y, Pan, L.
登録日2021-08-22
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8H
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BU of 7v8h by Molmil
Crystal structure of LRR domain from Shigella flexneri IpaH1.4
分子名称: RING-type E3 ubiquitin transferase
著者Liu, J, Wang, Y, Pan, L.
登録日2021-08-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
分子名称: Integrin beta-2
著者Li, H, Guo, J, Xu, C.
登録日2018-02-09
公開日2018-10-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
分子名称: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
著者Ge, W, Yu, C, Xu, R.M.
登録日2022-10-04
公開日2023-02-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
5X5O
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BU of 5x5o by Molmil
Crystal structure of ZAK in complex with compound D2829
分子名称: Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
著者Dai, Y.B, Zhao, P, Yun, C.H.
登録日2017-02-17
公開日2017-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
5X5M
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BU of 5x5m by Molmil
Crystal structure of a hydrolase encoded by lin2189 from Listeria innocua
分子名称: (+)-Yatakemycin, DIMETHYL SULFOXIDE, Lin2189 protein
著者Zhang, J.
登録日2017-02-16
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.211 Å)
主引用文献GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection
Nat Commun, 8, 2017
5XRR
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BU of 5xrr by Molmil
Crystal structure of FUS (54-59) SYSSYG
分子名称: RNA-binding protein FUS, ZINC ION
著者Zhao, M, Gui, X, Li, D, Liu, C.
登録日2017-06-09
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018

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