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6M0J
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BU of 6m0j by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
著者Wang, X, Lan, J, Ge, J, Yu, J, Shan, S.
登録日2020-02-21
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Nature, 581, 2020
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H.
登録日2020-02-27
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
4XXI
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BU of 4xxi by Molmil
Crystal structure of the Bilin-binding domain of phycobilisome core-membrane linker ApcE
分子名称: PHYCOCYANOBILIN, Phycobiliprotein ApcE
著者Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H.
登録日2015-01-30
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore
Proc.Natl.Acad.Sci.USA, 112, 2015
4XXU
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BU of 4xxu by Molmil
ModA - chromate bound
分子名称: Chromate, Molybdate-binding periplasmic protein
著者He, C, Karpus, J, Ajiboye, I.
登録日2015-01-30
公開日2016-09-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure of chromate bound ModA from E.coli at 1.43 Angstroms resolution.
To Be Published
4XXK
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BU of 4xxk by Molmil
Crystal structure of the Semet-derivative of the Bilin-binding domain of phycobilisome core-membrane linker ApcE
分子名称: PHYCOCYANOBILIN, Phycobiliprotein ApcE
著者Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H.
登録日2015-01-30
公開日2015-12-16
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YLA
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BU of 4yla by Molmil
Crystal structure of the indole prenyltransferase MpnD complexed with indolactam V and DMSPP
分子名称: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, Aromatic prenyltransferase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
著者Mori, T, Morita, H, Abe, I.
登録日2015-03-05
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
4YL7
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BU of 4yl7 by Molmil
Crystal structure of the indole prenyltransferase MpnD from Marinactinospora thermotolerans
分子名称: Aromatic prenyltransferase
著者Mori, T, Morita, H, Abe, I.
登録日2015-03-05
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
4YZK
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BU of 4yzk by Molmil
Crystal structure of the indole prenyltransferase TleC apo structure
分子名称: Tryptophan dimethylallyltransferase
著者Mori, T, Morita, H, Abe, I.
登録日2015-03-25
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
著者Sack, J.
登録日2008-02-28
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
4HND
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BU of 4hnd by Molmil
Crystal structure of the catalytic domain of Selenomethionine substituted human PI4KIIalpha in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha
著者Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F.
登録日2012-10-19
公開日2014-04-09
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha.
Nat Commun, 5, 2014
4HNE
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BU of 4hne by Molmil
Crystal structure of the catalytic domain of human type II alpha Phosphatidylinositol 4-kinase (PI4KIIalpha) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha
著者Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F.
登録日2012-10-19
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha.
Nat Commun, 5, 2014
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
分子名称: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者Sack, J.S, Critton, D.A.
登録日2021-11-11
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
6T5B
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BU of 6t5b by Molmil
KRasG12C ligand complex
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Phillips, C.
登録日2019-10-15
公開日2020-02-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5U
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BU of 6t5u by Molmil
KRasG12C ligand complex
分子名称: 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Phillips, C.
登録日2019-10-17
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5V
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BU of 6t5v by Molmil
KRasG12C ligand complex
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Phillips, C.
登録日2019-10-17
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
分子名称: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
7XWX
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BU of 7xwx by Molmil
Crystal structure of SARS-CoV-2 N-CTD
分子名称: Nucleoprotein, PHOSPHATE ION
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7XX1
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BU of 7xx1 by Molmil
Crystal structure of SARS-CoV-2 N-NTD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7XWZ
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BU of 7xwz by Molmil
Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ...
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
分子名称: EgtB (Cabther), FE (III) ION, GLYCEROL
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
8GSF
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BU of 8gsf by Molmil
Echovirus3 empty particle in complex with 6D10 Fab (sideling)
分子名称: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
著者Wang, X, Fu, W.
登録日2022-09-06
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSD
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BU of 8gsd by Molmil
Echovirus3 full particle in complex with 6D10 Fab
分子名称: Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ...
著者Wang, X, Fu, W.
登録日2022-09-06
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSE
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BU of 8gse by Molmil
Echovirus3 capsid protein in complex with 6D10 Fab (upright)
分子名称: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
著者Wang, X, Fu, W.
登録日2022-09-06
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSC
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BU of 8gsc by Molmil
Echovirus3 A-particle in complex with 6D10 Fab
分子名称: Heavy chain of 6D10, Light chain of 6D10, VP1, ...
著者Wang, X, Fu, W.
登録日2022-09-06
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
7X6S
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BU of 7x6s by Molmil
lymphocytic choriomeningitis virus RNA-dependent RNA polymerase (LCMV-L protein)
分子名称: MANGANESE (II) ION, RNA-directed RNA polymerase L
著者Liu, L, Lou, Z.
登録日2022-03-08
公開日2023-09-13
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure basis for allosteric regulation of lymphocytic choriomeningitis virus polymerase function by Z matrix protein.
Protein Cell, 14, 2023

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