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7NPI
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BU of 7npi by Molmil
Crystal structure of Mindy2 (C266A) in complex with Lys48-linked penta-ubiquitin (K48-Ub5)
分子名称: CHLORIDE ION, Polyubiquitin-C, SODIUM ION, ...
著者Lange, S.M, Armstrong, L.A, Kulathu, Y.
登録日2021-02-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
5TL6
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BU of 5tl6 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
分子名称: Replicase polyprotein 1ab, SULFATE ION, Ubiquitin-like protein ISG15, ...
著者Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
登録日2016-10-10
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.618 Å)
主引用文献Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
5OHP
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BU of 5ohp by Molmil
Crystal structure of USP30 (C77A) in complex with Lys6-linked diubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
著者Gersch, M, Komander, D.
登録日2017-07-17
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
Nat. Struct. Mol. Biol., 24, 2017
5OHK
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BU of 5ohk by Molmil
Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (high resolution)
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ...
著者Gersch, M, Komander, D.
登録日2017-07-17
公開日2017-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
Nat. Struct. Mol. Biol., 24, 2017
5NW2
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BU of 5nw2 by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19)
分子名称: (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5NVV
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BU of 5nvv by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-4-hydroxy-1-((S)-2-(2-hydroxyacetamido)-3,3-dimethylbutanoyl)-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5OHN
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BU of 5ohn by Molmil
Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (low resolution)
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
著者Gersch, M, Komander, D.
登録日2017-07-17
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
Nat. Struct. Mol. Biol., 24, 2017
5O6T
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BU of 5o6t by Molmil
BIRC4 RING in complex with dimeric ubiquitin variant
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, Polyubiquitin-B, ...
著者Gabrielsen, M, Buetow, L, Huang, D.T.
登録日2017-06-07
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
5TR4
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BU of 5tr4 by Molmil
Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243
分子名称: Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
著者Sintchak, M.D.
登録日2016-10-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
5TXK
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BU of 5txk by Molmil
CRYSTAL STRUCTURE OF USP35 C450S IN COMPLEX WITH UBIQUITIN
分子名称: 1,2-ETHANEDIOL, Polyubiquitin-B, SULFATE ION, ...
著者Bader, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2016-11-17
公開日2018-05-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Expansion of DUB functionality generated by alternative isoforms - USP35, a case study.
J. Cell. Sci., 131, 2018
5NVY
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BU of 5nvy by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl) pyrrolidine-2-carboxamide (ligand 11)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Soares, P, Gadd, M.S, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5U4P
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BU of 5u4p by Molmil
Protein-protein complex between 26S proteasome regulatory subunit RPN8, RPN11, and Ubiquitin S31
分子名称: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, Ubiquitin-40S ribosomal protein S31, ...
著者Worden, E.J, Dong, K.C, Martin, A.
登録日2016-12-05
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An AAA Motor-Driven Mechanical Switch in Rpn11 Controls Deubiquitination at the 26S Proteasome.
Mol. Cell, 67, 2017
5NVW
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pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
7O2W
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BU of 7o2w by Molmil
Structure of the C9orf72-SMCR8 complex
分子名称: Guanine nucleotide exchange protein SMCR8,Guanine nucleotide exchange protein SMCR8,Maltose/maltodextrin-binding periplasmic protein, Ubiquitin-like protein SMT3,Guanine nucleotide exchange C9orf72
著者Noerpel, J, Cavadini, S, Schenk, A.D, Graff-Meyer, A, Chao, J, Bhaskar, V.
登録日2021-03-31
公開日2021-07-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY
主引用文献Structure of the human C9orf72-SMCR8 complex reveals a multivalent protein interaction architecture.
Plos Biol., 19, 2021
5NVX
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BU of 5nvx by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10)
分子名称: Elongin-B, Elongin-C, N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, ...
著者Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5TL7
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BU of 5tl7 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15
分子名称: Replicase polyprotein 1ab, Ubiquitin-like protein ISG15, ZINC ION
著者Daczkowski, C.D, Dzimianski, J.V, Pegan, S.D.
登録日2016-10-10
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
5NW1
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BU of 5nw1 by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 18)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
7OJE
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BU of 7oje by Molmil
Crystal structure of the covalent complex between Tribolium castaneum deubiquitinase ZUP and Ubiquitin-PA
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Lys-63-specific deubiquitinase ZUFSP, ...
著者Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U.
登録日2021-05-14
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family.
Nat Commun, 13, 2022
5NW0
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BU of 5nw0 by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetamidocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 17)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5NVZ
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BU of 5nvz by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5OE7
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BU of 5oe7 by Molmil
Structure of OTULIN bound to the Met1-linked diubiquitin activity probe
分子名称: Polyubiquitin-C, Ubiquitin thioesterase otulin
著者Elliott, P.R, Komander, D.
登録日2017-07-07
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A Linear Diubiquitin-Based Probe for Efficient and Selective Detection of the Deubiquitinating Enzyme OTULIN.
Cell Chem Biol, 24, 2017
5N4W
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BU of 5n4w by Molmil
Crystal structure of the Cul2-Rbx1-EloBC-VHL ubiquitin ligase complex
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Cardote, T.A.F, Gadd, M.S, Ciulli, A.
登録日2017-02-11
公開日2017-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Crystal Structure of the Cul2-Rbx1-EloBC-VHL Ubiquitin Ligase Complex.
Structure, 25, 2017
5T35
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BU of 5t35 by Molmil
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ...
著者Gadd, M.S, Zengerle, M, Ciulli, A.
登録日2016-08-24
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
5V1Y
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BU of 5v1y by Molmil
Crystal structure of the ternary RPN13 PRU-RPN2 (940-953)-ubiquitin complex
分子名称: 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, Ubiquitin
著者Hemmis, C.W, VanderLinden, R.T, Yao, T, Robinson, H, Hill, C.P.
登録日2017-03-02
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.421 Å)
主引用文献Structure and energetics of pairwise interactions between proteasome subunits RPN2, RPN13, and ubiquitin clarify a substrate recruitment mechanism.
J. Biol. Chem., 292, 2017
5V8T
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BU of 5v8t by Molmil
Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354
分子名称: 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, MAGNESIUM ION, ...
著者Lorimer, D.D, Dranow, D.M, Seufert, F, Abendroth, J, Holzgrabe, U.
登録日2017-03-22
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354
to be published

222415

件を2024-07-10に公開中

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