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2X4Z
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CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH PF-03758309
Descriptor:SERINE/THREONINE-PROTEIN KINASE PAK 4, GLYCEROL, PF-3758309
Authors: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.
Deposit date:2010-02-03
Release date:2010-05-19
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
3GB8
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CRYSTAL STRUCTURE OF CRM1/SNURPORTIN-1 COMPLEX
Descriptor:Exportin-1, Snurportin-1
Authors:Dong, X., Biswas, A., Suel, K.E., Jackson, L.K., Martinez, R., Gu, H., Chook, Y.M.
Deposit date:2009-02-19
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for leucine-rich nuclear export signal recognition by CRM1.
Nature, 458, 2009
2MKW
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SOLUTION STRUCTURE OF 6AJL2 AND 6AJL2-R24G AMYLOIDOGENICS LIGHT CHAIN PROTEINS
Descriptor:V1-22 protein
Authors:Amero, C., Maya-Martinez, R.C., Gil-Rodriguez, P.C.
Deposit date:2014-02-13
Release date:2014-06-18
Last modified:2015-01-21
Method:SOLUTION NMR
Cite:Solution structure of 6aJL2 and 6aJL2-R24G amyloidogenics light chain proteins.
Biochem.Biophys.Res.Commun., 456, 2015
2MMX
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NMR STUDY OF 6AJL2
Descriptor:V1-22 protein
Authors:Amero, C., Maya-Martinez, R.C., Gil-Rodriguez, P.C.
Deposit date:2014-03-20
Release date:2014-06-25
Last modified:2015-01-21
Method:SOLUTION NMR
Cite:Solution structure of 6aJL2 and 6aJL2-R24G amyloidogenics light chain proteins.
Biochem.Biophys.Res.Commun., 456, 2015
6FZK
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NMR STRUCTURE OF UB2H, REGULATORY DOMAIN OF PBP1B FROM E. COLI
Descriptor:Penicillin-binding protein 1B
Authors:Simorre, J.P., Maya Martinez, R.C., Bougault, C., Egan, A.J.F., Vollmer, W.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6G5R
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STRUCTURE OF THE UB2H DOMAIN OF E.COLI PBP1B IN COMPLEX WITH LPOB
Descriptor:Penicillin-binding protein 1B
Authors:Simorre, J.P., Maya Martinez, R.C., Bougault, C.
Deposit date:2018-03-29
Release date:2019-02-20
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6G5S
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SOLUTION STRUCTURE OF THE TPR DOMAIN OF THE CELL DIVISION COORDINATOR, CPOB
Descriptor:Cell division coordinator CpoB
Authors:Simorre, J.P., Maya Martinez, R.C., Bougault, C., Vollmer, W., Egan, A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
6NZV
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH COMPOUND 12
Descriptor:HCV NS3/4A protease, (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, ZINC ION, ...
Authors:Appleby, T.C., Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 2019
6MO7
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N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-((4-(3-(N-CYCLOPENTYLSULFAMOYL)-4-METHYLPHENYL)-3-METHYLISOXAZOL-5-YL)METHYL)ACETAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
Authors:Lansdon, E.B., Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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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N-TERMINAL BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH 4,4'-(QUINOLINE-5,7-DIYL)BIS(3,5-DIMETHYLISOXAZOLE) INHIBITOR
Descriptor:Bromodomain-containing protein 2, 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, SULFATE ION
Authors:Lansdon, E.B., Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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N-TERMINAL BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH N-CYCLOPENTYL-7-(3,5-DIMETHYLISOXAZOL-4-YL)QUINOLINE-5-SULFONAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
Authors:Lansdon, E.B., Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MOA
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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
Descriptor:Bromodomain-containing protein 2, 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, GLYCEROL
Authors:Lansdon, E.B., Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6NZT
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH VOXILAPREVIR
Descriptor:HCV NS3/4A protease, Voxilaprevir, ZINC ION, ...
Authors:Appleby, T.C., Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 2019
6DZ8
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CRYSTAL STRUCTURE OF S. AUREUS PENICILLIN BINDING PROTEIN 4 (PBP4) MUTANT (S75C)
Descriptor:Penicillin-binding protein 4, ZINC ION
Authors:Alexander, J.A.N., Strynadka, N.C.J.
Deposit date:2018-07-03
Release date:2018-12-19
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Recognition of Peptidoglycan Fragments by the Transpeptidase PBP4 FromStaphylococcus aureus.
Front Microbiol, 9, 2018