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6THH
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BU of 6thh by Molmil
Crystal structure of type I-D CRISPR-Cas nuclease Cas10d in complex with the SIRV3 AcrID1 (gp02) anti-CRISPR protein
分子名称: CRISPR-associated protein, CscA, PHOSPHATE ION, ...
著者Manav, M.C, Brodersen, D.E.
登録日2019-11-20
公開日2020-10-28
最終更新日2021-06-30
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Structural basis for inhibition of an archaeal CRISPR-Cas type I-D large subunit by an anti-CRISPR protein.
Nat Commun, 11, 2020
8HC7
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BU of 8hc7 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region 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 (4.54 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
8HC8
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SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light 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2023-05-03
実験手法ELECTRON MICROSCOPY (3.95 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
8HC4
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SARS-CoV-2 wildtype spike trimer (6P) in complex with 3 YB9-258 Fabs and 3 R1-32 Fabs (3 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 R1-32 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 (3.54 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
8HC6
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BU of 8hc6 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light 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 (4.69 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
8HCB
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BU of 8hcb by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 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 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2023-05-03
実験手法ELECTRON MICROSCOPY (4.18 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
8HCA
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BU of 8hca by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (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 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2023-05-03
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
8HC5
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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
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
分子名称: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-05
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.423 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
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
8E13
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BU of 8e13 by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, PHE-ALA-LYS-LYS-LYS-TYR-CYS-LEU
著者Li, L, Bouvier, M.
登録日2022-08-09
公開日2023-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8EC5
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BU of 8ec5 by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide RARARARARARAFVKKKYCL
著者Li, L, Bouvier, M.
登録日2022-09-01
公開日2023-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8E8I
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BU of 8e8i by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, PHE-VAL-LYS-LYS-LYS-TYR-CYS-LEU
著者Li, L, Bouvier, M.
登録日2022-08-25
公開日2023-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8E2Z
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BU of 8e2z by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: ALA-PHE-ALA-LYS-LYS-LYS-TYR-CYS-LEU, Beta-2-microglobulin, MHC class I protein (Fragment)
著者Li, L, Bouvier, M.
登録日2022-08-16
公開日2023-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
4ZSA
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BU of 4zsa by Molmil
Crystal structure of FGFR1 kinase domain in complex with 7n
分子名称: 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1
著者Liu, Q.F, Xu, Y.C.
登録日2015-05-13
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold.
Org.Biomol.Chem., 13, 2015
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 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2018-08-05
公開日2019-08-07
最終更新日2019-08-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
6B4W
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BU of 6b4w by Molmil
TTK in Complex with Inhibitor
分子名称: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
著者Delker, S, Chamberlain, P.P.
登録日2017-09-27
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
著者Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
登録日2013-05-29
公開日2013-08-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4KYK
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Crystal structure of mouse glyoxalase I complexed with indomethacin
分子名称: INDOMETHACIN, Lactoylglutathione lyase, ZINC ION
著者Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
登録日2013-05-29
公開日2013-08-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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
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

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