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5RUP
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BU of 5rup by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927
分子名称: Non-structural protein 3, [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RV6
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BU of 5rv6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540
分子名称: 1,3-benzodioxole-5-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVH
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BU of 5rvh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642
分子名称: Non-structural protein 3, quinoline-3-carboxylic acid
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5GKO
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BU of 5gko by Molmil
Crystal structure of tripartite-type ABC transporter, MacB from Acinetobacter baumannii
分子名称: Macrolide export ATP-binding/permease protein MacB
著者Murakami, S, Okada, U, Yamashita, E.
登録日2016-07-04
公開日2017-11-15
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (3.393 Å)
主引用文献Crystal structure of tripartite-type ABC transporter MacB from Acinetobacter baumannii.
Nat Commun, 8, 2017
7W48
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BU of 7w48 by Molmil
Crystal structure of the gastric proton pump complexed with PF-03716556
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Abe, K, Tanaka, S.
登録日2021-11-26
公開日2022-01-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
7W49
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BU of 7w49 by Molmil
Crystal structure of the gastric proton pump complexed with soraprazan
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ...
著者Abe, K, Tanaka, S.
登録日2021-11-26
公開日2022-01-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5FLZ
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BU of 5flz by Molmil
Cryo-EM structure of gamma-TuSC oligomers in a closed conformation
分子名称: SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ...
著者Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A.
登録日2015-10-29
公開日2016-01-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure.
J.Struct.Biol., 194, 2016

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件を2024-11-06に公開中

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