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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
Descriptor: Non-structural protein 3, [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor: 1,3-benzodioxole-5-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor: Non-structural protein 3, quinoline-3-carboxylic acid
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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
Descriptor: Macrolide export ATP-binding/permease protein MacB
Authors:Murakami, S, Okada, U, Yamashita, E.
Deposit date:2016-07-04
Release date:2017-11-15
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.393 Å)
Cite: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
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Tanaka, S.
Deposit date:2021-11-26
Release date:2022-01-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ...
Authors:Abe, K, Tanaka, S.
Deposit date:2021-11-26
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.71 Å)
Cite: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
Descriptor: SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ...
Authors:Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A.
Deposit date:2015-10-29
Release date:2016-01-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite: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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數據於2024-11-06公開中

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