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7MLG
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BU of 7mlg by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63
分子名称: (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase
著者Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
登録日2021-04-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
7MLF
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
著者Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M.
登録日2021-04-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
2N89
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BU of 2n89 by Molmil
Tetrameric i-motif structure of dT-dC-dC-CFL-CFL-dC at acidic pH
分子名称: DNA (5'-D(*TP*CP*CP*(CFL)P*(CFL)P*C)-3')
著者Abou-Assi, H, Harkness, R.W, Martin-Pintado, N, Wilds, C.J, Campos-Olivas, R, Mittermaier, A.K, Gonzalez, C, Damha, M.J.
登録日2015-10-09
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Stabilization of i-motif structures by 2'-beta-fluorination of DNA.
Nucleic Acids Res., 44, 2016
7ZYX
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BU of 7zyx by Molmil
Dimeric i-motif from 2'Farabinocytidine-modified TC5
分子名称: DNA (5'-D(*TP*(CFL)P*(CFL)P*(CFL)P*(CFL)P*(CFL))-3')
著者Garavis, M, El Khoury, R, Damha, M.J, Gonzalez, C.
登録日2022-05-25
公開日2023-03-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献i-Motif folding intermediates with zero-nucleotide loops are trapped by 2'-fluoroarabinocytidine via F···H and O···H hydrogen bonds.
Commun Chem, 6, 2023
6VGQ
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BU of 6vgq by Molmil
ClpP1P2 complex from M. tuberculosis with GLF-CMK bound to ClpP1
分子名称: ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, Z-Gly-leu-phe-CH2Cl
著者Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
登録日2020-01-08
公開日2020-03-18
最終更新日2020-04-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VGK
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ClpP1P2 complex from M. tuberculosis
分子名称: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
著者Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
登録日2020-01-08
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VGN
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ClpP1P2 complex from M. tuberculosis bound to ADEP
分子名称: ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, R0M-WFP-ALO-PRO-YCP-ALA-MP8
著者Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
登録日2020-01-08
公開日2020-03-18
最終更新日2020-04-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020

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件を2024-08-14に公開中

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