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8HC5
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BU of 8hc5 by Molmil
SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC3
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BU of 8hc3 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 2 YB9-258 Fabs (2 RBD up)
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, Heavy chain of YB9-258, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.35 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
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, Heavy chain of YB9-258 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.21 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC9
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BU of 8hc9 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down)
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, Heavy chain of YB13-292 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.03 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
4GG7
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BU of 4gg7 by Molmil
Crystal structure of cMET in complex with novel inhibitor
分子名称: Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-06
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6JZO
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BU of 6jzo by Molmil
Structure of the mouse TRPC4 ion channel
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Duan, J, Li, Z, Li, J, Zhang, J.
登録日2019-05-03
公開日2020-10-21
最終更新日2021-05-05
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the mouse TRPC4 ion channel
To Be Published
5W2E
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BU of 5w2e by Molmil
HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876
分子名称: 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein
著者Lesburg, C.A, Ummat, A.
登録日2017-06-06
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.
ChemMedChem, 12, 2017
6KNY
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BU of 6kny by Molmil
Structure of Amuc_1100 without transmembrane region from Akkermansia muciniphila
分子名称: Protein Amuc_1100
著者Mou, L.Q, Xiao, Q.J, Deng, D.
登録日2019-08-07
公開日2020-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of monomeric Amuc_1100 from Akkermansia muciniphila.
Acta Crystallogr.,Sect.F, 76, 2020
5YHW
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BU of 5yhw by Molmil
Crystal structure of Pig SAMHD1
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Qin, X.H, Kong, J.
登録日2017-09-30
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization and directed modification of Sus scrofa SAMHD1 reveal the mechanism underlying deoxynucleotide regulation.
Febs J., 286, 2019
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 ion channel
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Duan, J, Li, Z, Li, J, Zhang, J.
登録日2018-02-02
公開日2018-04-18
最終更新日2018-08-29
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
7EAG
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BU of 7eag by Molmil
Crystal structure of the RAGATH-18 k-turn
分子名称: RNA (5'-R(*GP*UP*CP*UP*AP*UP*GP*AP*AP*GP*GP*CP*UP*GP*GP*AP*GP*AP*C)-3')
著者Huang, L, Lilley, D.M.J.
登録日2021-03-07
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules.
Nucleic Acids Res., 49, 2021
7EAF
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BU of 7eaf by Molmil
Crystal structure of SAM-I riboswitch with the Actinomyces-1 k-turn
分子名称: BARIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE, ...
著者Huang, L, Lilley, D.M.J.
登録日2021-03-07
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules.
Nucleic Acids Res., 49, 2021
8FK2
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BU of 8fk2 by Molmil
The N-terminal VicR from Streptococcus mutans
分子名称: Putative response regulator CovR VicR-like protein
著者Zhang, H, Wu, H.
登録日2022-12-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Small Molecule Attenuates Bacterial Virulence by Targeting Conserved Response Regulator.
Mbio, 14, 2023
7V9E
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BU of 7v9e by Molmil
Crystal structure of a methyl transferase ribozyme
分子名称: BARIUM ION, GUANINE, RNA (68-MER), ...
著者Deng, J, Lilley, D.M.J, Huang, L.
登録日2021-08-25
公開日2022-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of a methyltransferase ribozyme.
Nat.Chem.Biol., 18, 2022
4MMO
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BU of 4mmo by Molmil
The crystal structure of a M20 family metallo-carboxypeptidase Sso-CP2 from Sulfolobus solfataricus
分子名称: GLYCEROL, SULFATE ION, Sso-CP2 metallo-carboxypetidase, ...
著者Dupuy, J, Dutoit, R, Durisotti, V, Demarez, M, Borel, F, Van Elder, D, Legrain, C, Bauvois, C.
登録日2013-09-09
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3363 Å)
主引用文献Biochemical characterization of a novel thermostable dinuclear carboxypeptidase from the thermoacidophilic archaeum Sulfolobus solfataricus.
To be Published
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
著者Fenalti, G.
登録日2018-11-26
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
7CNL
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BU of 7cnl by Molmil
Crystal structure of TEAD3 in complex with VT105
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide, ...
著者Tang, T.T, Konradi, A.W.
登録日2020-08-01
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma.
Mol.Cancer Ther., 20, 2021
7V3R
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BU of 7v3r by Molmil
Crystal structure of CMET in complex with a novel inhibitor
分子名称: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
登録日2021-08-11
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7V3S
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BU of 7v3s by Molmil
Crystal structure of CMET in complex with a novel inhibitor
分子名称: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
登録日2021-08-11
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023

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件を2024-05-29に公開中

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