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4DB7
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BU of 4db7 by Molmil
Crystal structure of B. anthracis DHPS with compound 25
分子名称: 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-13
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
6KLH
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BU of 6klh by Molmil
Dimeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLC
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BU of 6klc by Molmil
Structure of apo Lassa virus polymerase
分子名称: MANGANESE (II) ION, RNA-directed RNA polymerase L
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLD
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BU of 6kld by Molmil
Structure of apo Machupo virus polymerase
分子名称: MANGANESE (II) ION, RNA-directed RNA polymerase L, ZINC ION
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLE
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BU of 6kle by Molmil
Monomeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
3H21
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BU of 3h21 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2C
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BU of 3h2c by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1H-imidazo[4,5-d]pyridazine-4,7-diamine, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2N
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BU of 3h2n by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2A
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BU of 3h2a by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H24
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BU of 3h24 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2M
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BU of 3h2m by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H26
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BU of 3h26 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2F
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BU of 3h2f by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
7XBY
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BU of 7xby by Molmil
The crystal structure of SARS-CoV-2 Omicron BA.1 variant RBD in complex with equine ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, BROMIDE ION, ...
著者Xu, Z.P, Liu, K.F, Han, P, Qi, J.X.
登録日2022-03-22
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses.
Nat Commun, 13, 2022
7X1M
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BU of 7x1m by Molmil
The complex structure of Omicron BA.1 RBD with BD604, S309,and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ...
著者Huang, M, Xie, Y.F, Qi, J.X.
登録日2022-02-24
公開日2022-07-06
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
7XA7
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BU of 7xa7 by Molmil
Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Tang, L.F, Zhang, D, Han, P, Qi, J.X.
登録日2022-03-17
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
3JUG
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BU of 3jug by Molmil
Crystal structure of endo-beta-1,4-mannanase from the alkaliphilic Bacillus sp. N16-5
分子名称: Beta-mannanase, SULFATE ION
著者Zhao, Y, Zhang, Y, Xue, Y.
登録日2009-09-15
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure Analysis of Alkaline beta-mannanase from Alkaliphilic Bacillus sp. N16-5 Implications for Adaptation to Alkaline Conditions
To be Published
7W6U
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BU of 7w6u by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor equine ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Xu, Z.P, Liu, K.F, Han, P, Qi, J.X.
登録日2021-12-02
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses
Nat Commun, 13, 2022
7W6R
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BU of 7w6r by Molmil
Structure of Bat coronavirus RaTG13 spike receptor-binding domain complexed with its receptor equine ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
著者Xu, Z.P, Liu, K.F, Han, P, Qi, J.X.
登録日2021-12-02
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses
Nat Commun, 13, 2022
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2O
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BU of 3h2o by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H23
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BU of 3h23 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2E
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BU of 3h2e by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
6ILN
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BU of 6iln by Molmil
Cryo-EM structure of full Echovirus 6 particle at PH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
7DAV
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BU of 7dav by Molmil
The native crystal structure of COVID-19 main protease
分子名称: COVID-19 MAIN PROTEASE
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022

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