Author results

1FQ4
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CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A
Descriptor:SACCHAROPEPSIN, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Cronin, N.B., Badasso, M.O., Tickle, I.J., Dreyer, T., Hoover, D.J., Rosati, R.L., Humblet, C.C., Lunney, E.A., Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ5
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X-RAY STRUCTURE OF A CYCLIC STATINE INHIBITOR PD-129,541 BOUND TO YEAST PROTEINASE A
Descriptor:SACCHAROPEPSIN, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, ...
Authors:Cronin, N.B., Badasso, M.O., Tickle, I.J., Dreyer, T., Hoover, D.J., Rosati, R.L., Humblet, C.C., Lunney, E.A., Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ6
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X-RAY STRUCTURE OF GLYCOL INHIBITOR PD-133,450 BOUND TO SACCHAROPEPSIN
Descriptor:SACCHAROPEPSIN, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Cronin, N.B., Badasso, M.O., Tickle, I.J., Dreyer, T., Hoover, D.J., Rosati, R.L., Humblet, C.C., Lunney, E.A., Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ7
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X-RAY STRUCTURE OF INHIBITOR CP-72,647 BOUND TO SACCHAROPEPSIN
Descriptor:SACCHAROPEPSIN, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Cronin, N.B., Badasso, M.O., Tickle, I.J., Dreyer, T., Hoover, D.J., Rosati, R.L., Humblet, C.C., Lunney, E.A., Cooper, J.B.
Deposit date:2000-09-04
Release date:2000-09-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
1FQ8
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X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN
Descriptor:SACCHAROPEPSIN, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, ...
Authors:Cronin, N.B., Badasso, M.O., Tickle, I.J., Dreyer, T., Hoover, D.J., Rosati, R.L., Humblet, C.C., Lunney, E.A., Cooper, J.B.
Deposit date:2000-09-04
Release date:2000-09-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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
1EPP
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ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)
Descriptor:ENDOTHIAPEPSIN, SULFATE ION, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide
Authors:Wallace, B.A., Cooper, J.B., Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
1EPQ
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ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL)
Descriptor:ENDOTHIAPEPSIN, N-[(1R)-2-{[(1R,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-D-phenylalaninamide, SULFATE ION
Authors:Dealwis, C., Cooper, J.B., Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
1BKL
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SELF-ASSOCIATED APO SRC SH2 DOMAIN
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Pp60Src Sh2 Domain Crystal Structures: A 2.0 Angstrom Co-Crystal Structure of a D-Amino Acid Substituted Phosphopeptide Complex and a 2.1 Angstrom Apo Structure Displaying Self-Association
To be Published
1BKM
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COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-05-02
Release date:1997-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
J.Am.Chem.Soc., 119, 1997
1EED
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X-RAY CRYSTALLOGRAPHIC ANALYSIS OF INHIBITION OF ENDOTHIAPEPSIN BY CYCLOHEXYL RENIN INHIBITORS
Descriptor:ENDOTHIAPEPSIN, (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
Authors:Blundell, T.L., Frazao, C., Cooper, J.B.
Deposit date:1992-06-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
1SKJ
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COCRYSTAL STRUCTURE OF UREA-SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Descriptor:PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, 4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID
Authors:Holland, D.R., Rubin, J.R.
Deposit date:1997-09-18
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and cocrystal structure of a nonpeptide Src SH2 domain ligand.
J.Med.Chem., 40, 1997
2IN6
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WEE1 KINASE COMPLEX WITH INHIBITOR PD311839
Descriptor:Wee1-like protein kinase, 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-05
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2IO6
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WEE1 KINASE COMPLEXED WITH INHIBITOR PD330961
Descriptor:Wee1-like protein kinase, 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-10
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008