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PDB: 52230 件
6LXC
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BU of 6lxc by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding
分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8KCQ
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Solution structures of the N-terminal divergent caplonin homology (NN-CH) domains of human intraflagellar transport protein 54
分子名称: TRAF3-interacting protein 1
著者Dang, W, Kuwasako, K, He, F, Takahashi, M, Tsuda, K, Nagata, T, Tanaka, A, Kobayashi, N, Kigawa, T, Guentert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2023-08-08
公開日2024-05-22
実験手法SOLUTION NMR
主引用文献1 H, 13 C, and 15 N resonance assignments and solution structure of the N-terminal divergent calponin homology (NN-CH) domain of human intraflagellar transport protein 54.
Biomol.Nmr Assign., 18, 2024
6XYG
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Femtosecond structure of bovine trypsin at room temperature
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Jensen, M.
登録日2020-01-30
公開日2021-02-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.50000238 Å)
主引用文献High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection
J.Synchrotron Radiat., 2021
6FHI
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BU of 6fhi by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter bound to a 19-mer serine 5 phosphorylated Pol II CTD peptide with a truncated linker.
分子名称: PHOSPHATE ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Lukarska, M, Cusack, S.
登録日2018-01-14
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Towards New Anti-Influenza Therapeutics: Structure-Activity Relationships in the Interaction between Heterotrimeric Influenza Polymerase and Pol II C-terminal domain
To Be Published
6XZ2
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BU of 6xz2 by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase mutant Y160W with SO4 and Formycin A
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Purine nucleoside phosphorylase DeoD-type, SULFATE ION
著者Narczyk, M, Bzowska, A.
登録日2020-01-31
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65000308 Å)
主引用文献Single tryptophan Y160W mutant of homooligomeric E. coli purine nucleoside phosphorylase implies that dimers forming the hexamer are functionally not equivalent.
Sci Rep, 11, 2021
1QGY
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BU of 1qgy by Molmil
Ferredoxin:NADP+ reductase mutant with Lys 75 replaced by Glu (K75E)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP+ reductase, SULFATE ION
著者Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C.
登録日1999-05-10
公開日2004-03-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of interactions for complex formation between Ferredoxin-NADP+ reductase and its protein partners
Proteins, 59, 2005
6CXZ
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RNA octamer containing 2'-F, 4'-Calpha-Me U.
分子名称: CACODYLATE ION, COBALT HEXAMMINE(III), RNA (5'-R(*CP*GP*AP*AP*(U4M)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2018-04-04
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
4IFJ
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BU of 4ifj by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: Kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
To be Published
7H3H
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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57472297 (A71EV2A-x0395)
分子名称: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
5K44
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Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate.
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
著者Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
登録日2016-05-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
7H3V
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BU of 7h3v by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1198177230 (A71EV2A-x0501)
分子名称: (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H39
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Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z50145861 (A71EV2A-x0341)
分子名称: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H3Y
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BU of 7h3y by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1203107138 (A71EV2A-x0517)
分子名称: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
5NQ6
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BU of 5nq6 by Molmil
Crystal structure of the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE from Escherichia coli at 2.40 Angstrom Resolution
分子名称: GLYCEROL, SULFATE ION, Sulfur acceptor protein CsdE
著者Penya-Soler, E, Aranda, J, Lopez-Estepa, M, Gomez, S, Garces, F, Coll, M, Fernandez, F.J, Vega, M.C.
登録日2017-04-19
公開日2018-03-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE.
PLoS ONE, 12, 2017
7H4V
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BU of 7h4v by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57663553 (A71EV2A-x1128)
分子名称: 5-phenyl-1,3,4-oxadiazol-2-ol, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7QBR
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BU of 7qbr by Molmil
Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2021-11-19
公開日2022-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7H36
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BU of 7h36 by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1688504114 (A71EV2A-x0310)
分子名称: 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H3E
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BU of 7h3e by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56921372 (A71EV2A-x0375)
分子名称: DIMETHYL SULFOXIDE, N-(2-methoxyphenyl)thiourea, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H3U
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BU of 7h3u by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1198158918 (A71EV2A-x0497)
分子名称: 1H-indazole-3-carbonitrile, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
1ZT3
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C-terminal domain of Insulin-like Growth Factor Binding Protein-1 isolated from human amniotic fluid
分子名称: 1,4-DIETHYLENE DIOXIDE, Insulin-like growth factor binding protein 1
著者Sala, A, Capaldi, S, Campagnoli, M, Faggion, B, Labo, S, Perduca, M, Romano, A, Carrizo, M.E, Valli, M, Visai, L, Minchiotti, L, Galliano, M, Monaco, H.L.
登録日2005-05-26
公開日2005-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Properties of the C-terminal Domain of Insulin-like Growth Factor-binding Protein-1 Isolated from Human Amniotic Fluid
J.Biol.Chem., 280, 2005
7H2W
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BU of 7h2w by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z3765495818 (A71EV2A-x0202)
分子名称: (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H2U
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BU of 7h2u by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z355202286 (A71EV2A-x0188)
分子名称: (2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H3F
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BU of 7h3f by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56960214 (A71EV2A-x0379)
分子名称: DIMETHYL SULFOXIDE, N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7QBQ
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Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2021-11-19
公開日2022-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7H4M
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BU of 7h4m by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1457921102 (A71EV2A-x0911)
分子名称: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024

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