Author results

1F9E
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CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
Descriptor:CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN, (PHQ)DEVD
Authors:Blanchard, H., Donepudi, M., Tschopp, M., Kodandapani, L., Wu, J.C., Grutter, M.G.
Deposit date:2000-07-10
Release date:2001-07-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
1G3F
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NMR STRUCTURE OF A 9 RESIDUE PEPTIDE FROM SMAC/DIABLO COMPLEXED TO THE BIR3 DOMAIN OF XIAP
Descriptor:INHIBITOR OF APOPTOSIS PROTEIN 3, SMAC, ZINC ION
Authors:Liu, Z., Sun, C., Olejniczak, E.T., Meadows, R.P., Betz, S.F., Oost, T., Herrmann, J., Wu, J.C., Fesik, S.W.
Deposit date:2000-10-24
Release date:2001-01-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain.
Nature, 408, 2000
1QX3
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CONFORMATIONAL RESTRICTIONS IN THE ACTIVE SITE OF UNLIGANDED HUMAN CASPASE-3
Descriptor:Apopain
Authors:Ni, C.-Z., Li, C., Wu, J.C., Spada, A.P., Ely, K.R.
Deposit date:2003-09-04
Release date:2003-10-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
3G0E
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KIT KINASE DOMAIN IN COMPLEX WITH SUNITINIB
Descriptor:Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Authors:Gajiwala, K.S., Wu, J.C., Lunney, E.A., Gemetri, G.D.
Deposit date:2009-01-27
Release date:2009-02-24
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
3G0F
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KIT KINASE DOMAIN MUTANT D816H IN COMPLEX WITH SUNITINIB
Descriptor:Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide, SULFATE ION
Authors:Gajiwala, K.S., Wu, J.C., Lunney, E.A., Demetri, G.D.
Deposit date:2009-01-27
Release date:2009-02-24
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
4ZZH
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SIRT1/ACTIVATOR COMPLEX
Descriptor:NAD-dependent protein deacetylase sirtuin-1, ZINC ION, (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZI
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SIRT1/ACTIVATOR/INHIBITOR COMPLEX
Descriptor:NAD-dependent protein deacetylase sirtuin-1, (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, ...
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.7346 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZJ
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SIRT1/ACTIVATOR/SUBSTRATE COMPLEX
Descriptor:NAD-dependent protein deacetylase sirtuin-1, Ac-p53, ZINC ION, ...
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.7403 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
1F9X
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AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-3 DOMAIN OF XIAP
Descriptor:INHIBITOR OF APOPTOSIS PROTEIN XIAP, ZINC ION
Authors:Sun, C., Cai, M., Meadows, R.P., Fesik, S.W.
Deposit date:2000-07-11
Release date:2001-07-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP.
J.Biol.Chem., 275, 2000
1QDU
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK
Descriptor:CASPASE-8 ALPHA-CHAIN, CASPASE-8 BETA-CHAIN, PHQ-GLU-VAL-ASP-DICHLOROMETHYLKETONE INHIBITOR
Authors:Blanchard, H., Grutter, M.G.
Deposit date:1999-07-10
Release date:2000-07-10
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The three-dimensional structure of caspase-8: an initiator enzyme in apoptosis.
Structure Fold.Des., 7, 1999
3K3I
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P38ALPHA BOUND TO NOVEL DGF-OUT COMPOUND PF-00215955
Descriptor:Mitogen-activated protein kinase 14, (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
3K3J
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P38ALPHA BOUND TO NOVEL DFG-OUT COMPOUND PF-00416121
Descriptor:Mitogen-activated protein kinase 14, 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009