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3GB8
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BU of 3gb8 by Molmil
Crystal structure of CRM1/Snurportin-1 complex
分子名称: Exportin-1, Snurportin-1
著者Dong, X, Biswas, A, Suel, K.E, Jackson, L.K, Martinez, R, Gu, H, Chook, Y.M.
登録日2009-02-19
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for leucine-rich nuclear export signal recognition by CRM1.
Nature, 458, 2009
2X4Z
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BU of 2x4z by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309
分子名称: GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T.
登録日2010-02-03
公開日2010-05-19
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6MOA
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BU of 6moa by Molmil
C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor
分子名称: 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO7
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BU of 6mo7 by Molmil
N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor
分子名称: Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO9
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BU of 6mo9 by Molmil
N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor
分子名称: Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO8
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BU of 6mo8 by Molmil
N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor
分子名称: 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
2MKW
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BU of 2mkw by Molmil
Solution Structure of 6aJl2 and 6aJL2-R24G Amyloidogenics Light Chain Proteins
分子名称: V1-22 protein
著者Amero, C, Maya-Martinez, R.C, Gil-Rodriguez, P.C.
登録日2014-02-13
公開日2014-06-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of 6aJL2 and 6aJL2-R24G amyloidogenics light chain proteins.
Biochem.Biophys.Res.Commun., 456, 2015
2MMX
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BU of 2mmx by Molmil
NMR study of 6aJL2
分子名称: V1-22 protein
著者Amero, C, Maya-Martinez, R.C, Gil-Rodriguez, P.C.
登録日2014-03-20
公開日2014-06-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of 6aJL2 and 6aJL2-R24G amyloidogenics light chain proteins.
Biochem.Biophys.Res.Commun., 456, 2015
6G5S
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BU of 6g5s by Molmil
Solution structure of the TPR domain of the cell division coordinator, CpoB
分子名称: Cell division coordinator CpoB
著者Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A.
登録日2018-03-29
公開日2018-08-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6FZK
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BU of 6fzk by Molmil
NMR structure of UB2H, regulatory domain of PBP1b from E. coli
分子名称: Penicillin-binding protein 1B
著者Simorre, J.P, Maya Martinez, R.C, Bougault, C, Egan, A.J.F, Vollmer, W.
登録日2018-03-15
公開日2019-02-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6G5R
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BU of 6g5r by Molmil
Structure of the UB2H domain of E.coli PBP1B in complex with LpoB
分子名称: Penicillin-binding protein 1B
著者Simorre, J.P, Maya Martinez, R.C, Bougault, C.
登録日2018-03-29
公開日2019-02-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6DZ8
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BU of 6dz8 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (S75C)
分子名称: Penicillin-binding protein 4, ZINC ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2018-07-03
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Recognition of Peptidoglycan Fragments by the Transpeptidase PBP4 FromStaphylococcus aureus.
Front Microbiol, 9, 2018

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