Author results

1AXA
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ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Hartsuck, J.A., Foundling, S., Ermolieff, J., Tang, J.
Deposit date:1997-10-13
Release date:1998-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant.
Protein Sci., 7, 1998
3LZ6
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GUINEA PIG 11BETA HYDROXYSTEROID DEHYDROGENASE WITH PF-877423
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N-adamantan-2-yl-1-ethyl-D-prolinamide
Authors:Pauly, T.A.
Deposit date:2010-03-01
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3RWP
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DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1)
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Greasley, S.E., Hickey, M., Ferre, R.-A., Krauss, M., Cronin, C.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3RWQ
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DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1)
Descriptor:3-phosphoinositide-dependent protein kinase 1, [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone, GLYCEROL, ...
Authors:Kazmirski, S., Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
5UOR
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STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, SULFATE ION, 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UOX
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STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UP3
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STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
3JVR
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CHARACTERIZATION OF THE CHK1 ALLOSTERIC INHIBITOR BINDING SITE
Descriptor:Serine/threonine-protein kinase Chk1, (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3JVS
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CHARACTERIZATION OF THE CHK1 ALLOSTERIC INHIBITOR BINDING SITE
Descriptor:Serine/threonine-protein kinase Chk1, 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3SC1
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NOVEL ISOQUINOLONE PDK1 INHIBITORS DISCOVERED THROUGH FRAGMENT-BASED LEAD DISCOVERY
Descriptor:3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, SULFATE ION, ...
Authors:Greasley, S.E., Ferre, R.-A., Krauss, M., Cronin, C.
Deposit date:2011-06-06
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
3G49
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N-(PYRIDIN-2-YL) ARYLSULFONAMIDE INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE TYPE 1: DISCOVERY OF PF-915275
Descriptor:11-beta-hydroxysteroid dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide
Authors:Pauly, T.A.
Deposit date:2009-02-03
Release date:2009-08-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009