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5QTV
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-11-13
公開日2020-01-29
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTX
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BU of 5qtx by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-11-13
公開日2020-01-29
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5QTY
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BU of 5qty by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-11-13
公開日2020-01-29
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
5WB6
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BU of 5wb6 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2020-03-12
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
6R5F
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BU of 6r5f by Molmil
Crystal structure of RIP1 kinase in complex with DHP77
分子名称: Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
著者Thorpe, J.H, Campobasso, N, Harris, P.A.
登録日2019-03-25
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
4FZY
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BU of 4fzy by Molmil
Exonuclease X in complex with 12bp blunt-ended dsDNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-3'), Exodeoxyribonuclease 10, ...
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
4FZZ
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BU of 4fzz by Molmil
Exonuclease X in complex with 5' overhanging duplex DNA
分子名称: DNA (5'-D(*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, SODIUM ION
著者Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
登録日2012-07-08
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
8Y8E
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BU of 8y8e by Molmil
Structure of HCoV-HKU1C spike in the inactive-2up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8C
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BU of 8y8c by Molmil
Structure of HCoV-HKU1C spike in the inactive-closed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8H
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BU of 8y8h by Molmil
Structure of HCoV-HKU1C spike in the glycan-activated-2up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8I
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BU of 8y8i by Molmil
Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y7X
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BU of 8y7x by Molmil
Structure of HCoV-HKU1A spike in the functionally anchored-3up conformation with 3TMPRSS2
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-05
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y7Y
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BU of 8y7y by Molmil
Local structure of HCoV-HKU1A spike in complex with TMPRSS2 and glycan
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, Spike glycoprotein, ...
著者Wang, H.F, Zhang, X, Lu, Y, Liu, X, Sun, L, Yang, H.T.
登録日2024-02-05
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y87
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BU of 8y87 by Molmil
Structure of HCoV-HKU1C spike in the functionally anchored-1up conformation with 1TMPRSS2
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y88
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BU of 8y88 by Molmil
Structure of HCoV-HKU1C spike in the functionally anchored-2up conformation with 2TMPRSS2
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y89
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BU of 8y89 by Molmil
Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 2TMPRSS2
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, Spike glycoprotein, ...
著者Lu, Y.C, Wang, H.F, Zhang, X, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8A
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BU of 8y8a by Molmil
Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8B
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BU of 8y8b by Molmil
Local structure of HCoV-HKU1C spike in complex with TMPRSS2 and glycan
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, Spike glycoprotein, ...
著者Wang, H.F, Zhang, X, Lu, Y.C, Liu, X.C, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8F
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BU of 8y8f by Molmil
Structure of HCoV-HKU1C spike in the glycan-activated-closed conformation
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8J
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BU of 8y8j by Molmil
Local structure of HCoV-HKU1C spike in complex with glycan
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8D
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BU of 8y8d by Molmil
Structure of HCoV-HKU1C spike in the inactive-1up conformation
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
8Y8G
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BU of 8y8g by Molmil
Structure of HCoV-HKU1C spike in the glycan-activated-1up conformation
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, Spike glycoprotein, ...
著者Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T.
登録日2024-02-06
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
3M3Q
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BU of 3m3q by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Ganglosides GM1 pentasaccharide
分子名称: Anti-tumor lectin, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Feng, L, Li, D, Wang, D.
登録日2010-03-09
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010

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