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5C5Q
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BU of 5c5q by Molmil
CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR
分子名称: (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ...
著者Lukacs, C.M, Janson, C.A.
登録日2015-06-21
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5HZG
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BU of 5hzg by Molmil
The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex
分子名称: (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ...
著者Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
登録日2016-02-02
公開日2016-08-03
最終更新日2016-08-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
5HYW
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BU of 5hyw by Molmil
The crystal structure of the D3-ASK1 complex
分子名称: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A
著者Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
登録日2016-02-02
公開日2016-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
8SIT
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BU of 8sit by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.24 fab heavy chain, CC84.24 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 (2.91 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
8SIS
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BU of 8sis by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.2 Fab heavy chain, CC84.2 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 (3.08 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
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
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
6LQD
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BU of 6lqd by Molmil
Structure of Enterovirus 71 in complex with NLD-22
分子名称: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one, Capsid protein VP1, Capsid protein VP2, ...
著者Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z.
登録日2020-01-13
公開日2020-03-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.264 Å)
主引用文献Design, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
J.Med.Chem., 63, 2020
8IMW
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BU of 8imw by Molmil
Crystal structure of response regulator PmrA receiver domain
分子名称: Transcriptional regulator
著者Ouyang, Z, Wen, Y.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanistic and biophysical characterization of polymyxin resistance response regulator PmrA in Acinetobacter baumannii.
Front Microbiol, 15, 2024
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
分子名称: 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2020-12-24
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24916625 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2808516 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
6KVN
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BU of 6kvn by Molmil
Crystal structure of chloroplast resolvase
分子名称: NtMOC1
著者Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
登録日2019-09-05
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
8H3X
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BU of 8h3x by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 282
分子名称: Fragilysin, ZINC ION, nanobody 282
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
8H3Y
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BU of 8h3y by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 327
分子名称: Fragilysin, Nanobody 327, ZINC ION
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
6LCT
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BU of 6lct by Molmil
Crystal structure of catalytic inactive chloroplast resolvase NtMOC1 in complex with Holliday junction
分子名称: DNA (5'-D(*AP*AP*GP*AP*TP*GP*TP*CP*CP*CP*TP*CP*TP*GP*TP*TP*GP*T)-3'), DNA (5'-D(*AP*CP*AP*AP*CP*AP*GP*AP*GP*GP*AP*TP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*CP*TP*TP*GP*CP*TP*GP*GP*GP*AP*CP*AP*TP*CP*TP*T)-3'), ...
著者Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
登録日2019-11-19
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6KVO
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BU of 6kvo by Molmil
Crystal structure of chloroplast resolvase in complex with Holliday junction
分子名称: DNA (5'-D(*AP*CP*AP*AP*CP*AP*GP*AP*TP*GP*AP*TP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*CP*TP*TP*GP*CP*TP*TP*GP*GP*AP*CP*AP*TP*CP*TP*T)-3'), DNA (5'-D(P*AP*AP*GP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*TP*TP*GP*T)-3'), ...
著者Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
登録日2019-09-05
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6LCM
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BU of 6lcm by Molmil
Crystal structure of chloroplast resolvase ZmMOC1 with the magic triangle I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, ZmMoc1
著者Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P.
登録日2019-11-19
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
6J15
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BU of 6j15 by Molmil
Complex structure of GY-5 Fab and PD-1
分子名称: 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, GY-5 heavy chain Fab, ...
著者Chen, D, Tan, S, Zhang, H, Wang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F.
登録日2018-12-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
4XEM
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BU of 4xem by Molmil
Crystal Structure of wild type human AlaRS catalytic domain
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 1,2-ETHANEDIOL, Alanine--tRNA ligase, ...
著者Zhou, H, He, W, Yang, X.L.
登録日2014-12-24
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Crystal structure of wild type human AlaRS catalytic domain
To Be Published
4XEO
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BU of 4xeo by Molmil
Crystal Structure of human AlaRS catalytic domain with R329H mutation
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanine--tRNA ligase, cytoplasmic, ...
著者Zhou, H, He, W, Yang, X.L.
登録日2014-12-24
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of human AlaRS catalytic domain with R329H mutation
To Be Published
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
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