Author results

1Q5P
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S156E/S166D VARIANT OF BACILLUS LENTUS SUBTILISIN
Descriptor:Serine protease, SULFATE ION, CALCIUM ION
Authors:Bott, R.R., Chan, G., Domingo, B., Ganshaw, G., Hsia, C.Y., Knapp, M., Murray, C.J.
Deposit date:2003-08-08
Release date:2003-11-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Do enzymes change the nature of transition states? Mapping the transition state for general acid-base catalysis of a serine protease
Biochemistry, 42, 2003
1LPV
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DROSOPHILA MELANOGASTER DOUBLESEX (DSX), NMR, 18 STRUCTURES
Descriptor:Doublesex protein, ZINC ION
Authors:Zhu, L., Wilken, J., Phillips, N., Narendra, U., Chan, G., Stratton, S., Kent, S., Weiss, M.A.
Deposit date:2002-05-08
Release date:2002-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Sexual dimorphism in diverse metazoans is regulated by a novel class of intertwined zinc fingers.
Genes Dev., 14, 2000
3RVG
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CRYSTALS STRUCTURE OF JAK2 WITH A 1-AMINO-5H-PYRIDO[4,3-B]INDOL-4-CARBOXAMIDE INHIBITOR
Descriptor:Tyrosine-protein kinase JAK2, 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
Authors:Lim, J., Taoka, B., Otte, R.D., Spencer, K., Dinsmore, C.J., Altman, M.D., Chan, G., Rosenstein, C., Sharma, S., Su, H.P., Szewczak, A.A., Xu, L., Yin, H., Zugay-Murphy, J., Marshall, C.G., Young, J.R.
Deposit date:2011-05-06
Release date:2012-03-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
1GFW
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THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor:CASPASE-3 (APOPAIN, P20), P10), ...
Authors:Concha, N.O., Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1I2Z
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E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE
Authors:Heerding, D.A., Miller, W.H., Payne, D.J., Janson, C.A., Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
4K0Y
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STRUCTURE OF PIM-1 KINASE BOUND TO N-(4-FLUOROPHENYL)-7-HYDROXY-5-(PIPERIDIN-4-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION
Authors:Murray, J.M., Wallweber, H., Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K18
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STRUCTURE OF PIM-1 KINASE BOUND TO 5-(4-CYANOBENZYL)-N-(4-FLUOROPHENYL)-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, PHOSPHATE ION, 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Murray, J.M., Wallweber, H., Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K1B
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STRUCTURE OF PIM-1 KINASE BOUND TO N-(5-(2-FLUOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-5-((((3R,4R)-3-FLUOROPIPERIDIN-4-YL)METHYL)AMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase pim-1, PHOSPHATE ION, N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Murray, J.M., Wallweber, H., Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
5V80
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PIM1 KINASE IN COMPLEX WITH CPD1 (1-METHYL-4-(3-(6-(PIPERAZIN-1-YL)PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PIPERAZIN-2-ONE)
Descriptor:Serine/threonine-protein kinase pim-1, PHOSPHATE ION, 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one
Authors:Murray, J.M., Wallweber, H.
Deposit date:2017-03-21
Release date:2018-04-18
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
5V82
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PIM1 KINASE IN COMPLEX WITH CPD17 (1-(6-(4,4-DIFLUOROPIPERIDIN-3-YL)PYRIDIN-2-YL)-6-(6-METHYLPYRAZIN-2-YL)-1H-PYRAZOLO[4,3-C]PYRIDINE)
Descriptor:Serine/threonine-protein kinase pim-1, 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine
Authors:Murray, J.M., Wallweber, H.
Deposit date:2017-03-21
Release date:2017-05-10
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017