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8SIR
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BU of 8sir by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC25.54 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC25.54 Fab heavy chain, CC25.54 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIQ
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BU of 8siq by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibodies CC25.36 and CV38-142 Fab
分子名称: CC25.36 Fab heavy chain, CC25.36 Fab light chain, CV38-142 Fab heavy chain, ...
著者Liu, H, Wilson, I.A.
登録日2023-04-16
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8R7Q
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BU of 8r7q by Molmil
human connexin-36 gap junction channel in complex with quinine
分子名称: Gap junction delta-2 protein, Quinine
著者Ding, X.Y, Blum, T.B, Korkhov, V.M.
登録日2023-11-27
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structural basis of connexin-36 gap junction channel inhibition.
Cell Discov, 10, 2024
8R7P
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human connexin-36 gap junction channel
分子名称: Gap junction delta-2 protein
著者Ding, X.Y, Blum, T.B, Korkhov, V.M.
登録日2023-11-27
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structural basis of connexin-36 gap junction channel inhibition.
Cell Discov, 10, 2024
5JWB
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BU of 5jwb by Molmil
Structure of NDH2 from plasmodium falciparum in complex with NADH
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yu, Y, Li, X.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
著者Guo, X, Feng, L.
登録日2022-08-04
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
3GYO
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BU of 3gyo by Molmil
Se-Met Rtt106p
分子名称: Histone chaperone RTT106
著者Liu, Y, Huang, H, Shi, Y, Teng, M.
登録日2009-04-04
公開日2009-12-08
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
3GYP
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BU of 3gyp by Molmil
Rtt106p
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Histone chaperone RTT106
著者Liu, Y, Huang, H, Shi, Y, Teng, M.
登録日2009-04-04
公開日2009-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing
J.Biol.Chem., 285, 2010
6DWZ
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BU of 6dwz by Molmil
Hermes transposase deletion dimer complex with (C/G) DNA
分子名称: DNA (26-MER), DNA (5'-D(*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*C)-3'), ...
著者Dyda, F, Hickman, A.B.
登録日2018-06-28
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase.
Nucleic Acids Res., 46, 2018
8DNK
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BU of 8dnk by Molmil
Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6
分子名称: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8DNI
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BU of 8dni by Molmil
Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1
分子名称: (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
分子名称: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
登録日2020-04-01
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BRS
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BU of 7brs by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02
分子名称: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y.
登録日2020-03-30
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TW0
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BU of 4tw0 by Molmil
Crystal Structure of SCARB2 in Acidic Condition (pH4.8)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Dang, M.H, Wang, X.X, Rao, Z.H.
登録日2014-06-29
公開日2015-07-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.648 Å)
主引用文献Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4TW2
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BU of 4tw2 by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
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, Scavenger receptor class B member 2, ...
著者Dang, M.H, Wang, X.X, Rao, Z.H.
登録日2014-06-29
公開日2015-07-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-07-19
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YHW
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BU of 7yhw by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement)
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-07-14
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
4U97
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BU of 4u97 by Molmil
Crystal Structure of Asymmetric IRAK4 Dimer
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
著者Ferrao, R, Wu, H.
登録日2014-08-05
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4U9A
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BU of 4u9a by Molmil
Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
著者Ferrao, R, Liu, Q, Wu, H.
登録日2014-08-05
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
著者Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
登録日2022-08-18
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
登録日2022-08-19
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
3CM8
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BU of 3cm8 by Molmil
A RNA polymerase subunit structure from virus
分子名称: Polymerase acidic protein, peptide from RNA-directed RNA polymerase catalytic subunit
著者He, X, Zhou, J, Zeng, Z, Ma, J, Zhang, R, Rao, Z, Liu, Y.
登録日2008-03-21
公開日2008-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Crystal structure of the polymerase PAC-PB1N complex from an avian influenza H5N1 virus
Nature, 454, 2008

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