Author results

1DI8
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THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
Descriptor:CYCLIN-DEPENDENT KINASE 2, 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
Authors:Shewchuk, L., Hassell, A., Kuyper, L.F.
Deposit date:1999-11-29
Release date:2000-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
1DI9
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THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Descriptor:P38 KINASE, 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Authors:Shewchuk, L., Hassell, A., Kuyper, L.F.
Deposit date:1999-11-29
Release date:2000-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
3JYH
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HUMAN DIPEPTIDYL PEPTIDASE DPP7
Descriptor:Dipeptidyl-peptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Dobrovetsky, E., Dong, A., Seitova, A., Crombett, L., Paganon, S., Cossar, D., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Hassel, A., Shewchuk, L., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Human dipeptidyl peptidase DPP7
To be Published
3N0T
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HUMAN DIPEPTIDIL PEPTIDASE DPP7 COMPLEXED WITH INHIBITOR GSK237826A
Descriptor:Dipeptidyl peptidase 2, (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
Authors:Dobrovetsky, E., Khutoreskaya, G., Seitova, A., Crombet, L., Cossar, D., Pagannon, S., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Hassell, A., Shewchuk, L., Haffner, C., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2010-05-14
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Human dipeptidyl peptidase DPP7
To be Published
1FVT
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THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-BENZENESULFONAMIDE
Authors:Davis, S.T., Benson, B.G., Bramson, H.N., Chapman, D.E., Dickerson, S.H., Dold, K.M., Eberwein, D.J., Edelstein, M., Frye, S.V., Gampe Jr., R.T., Griffin, R.J., Harris, P.A., Hassell, A.M., Holmes, W.D., Hunter, R.N., Knick, V.B., Lackey, K., Lovejoy, B., Luzzio, M.J., Murray, D., Parker, P., Rocque, W.J., Shewchuk, L., Veal, J.M., Walker, D.H., Kuyper, L.K.
Deposit date:2000-09-20
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
1FVV
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THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN A, 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
Authors:Davis, S.T., Benson, B.G., Bramson, H.N., Chapman, D.E., Dickerson, S.H., Dold, K.M., Eberwein, D.J., Edelstein, M., Frye, S.V., Gampe Jr., R.T., Griffin, R.J., Harris, P.A., Hassell, A.M., Holmes, W.D., Hunter, R.N., Knick, V.B., Lackey, K., Lovejoy, B., Luzzio, M.J., Murray, D., Parker, P., Rocque, W.J., Shewchuk, L., Veal, J.M., Walker, D.H., Kuyper, L.K.
Deposit date:2000-09-20
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
1L96
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STRUCTURE OF A HINGE-BENDING BACTERIOPHAGE T4 LYSOZYME MUTANT, ILE3-> PRO
Descriptor:T4 LYSOZYME, CHLORIDE ION, BETA-MERCAPTOETHANOL
Authors:Dixon, M., Shewchuk, L., Matthews, B.W.
Deposit date:1992-02-11
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a hinge-bending bacteriophage T4 lysozyme mutant, Ile3-->Pro.
J.Mol.Biol., 227, 1992
1L97
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STRUCTURE OF A HINGE-BENDING BACTERIOPHAGE T4 LYSOZYME MUTANT, ILE3-> PRO
Descriptor:T4 LYSOZYME
Authors:Dixon, M., Shewchuk, L., Matthews, B.W.
Deposit date:1992-02-11
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a hinge-bending bacteriophage T4 lysozyme mutant, Ile3-->Pro.
J.Mol.Biol., 227, 1992
3EKK
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INSULIN RECEPTOR KINASE COMPLEXED WITH AN INHIBITOR
Descriptor:Insulin receptor, 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide
Authors:Chamberlain, S., Atkins, C., Deanda, F., Dumble, M., Gerding, R., Groy, A., Korenchuk, S., Kumar, R., Lei, H., Mook, R., Moorthy, G., Redman, A., Rowland, J., Sabbatini, P., Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
1A07
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-09
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A08
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-09
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A09
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1A
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C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1B
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1C
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
1A1E
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C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
Descriptor:C-SRC TYROSINE KINASE, ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
Authors:Shewchuk, L., Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
4YFF
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TNNI3K COMPLEXED WITH INHIBITOR 2
Descriptor:Serine/threonine-protein kinase TNNI3K, 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
Authors:Shewchuk, L.M., Wang, L., Lawhorn, B.G.
Deposit date:2015-02-25
Release date:2015-09-23
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
4YFI
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TNNI3K COMPLEXED WITH INHIBITOR 1
Descriptor:Serine/threonine-protein kinase TNNI3K, N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide
Authors:Shewchuk, L.M., Wang, L., Lawhorn, B.G.
Deposit date:2015-02-25
Release date:2015-09-23
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
3EID
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CDK2/CYCLINA COMPLEXED WITH A PYRAZOLOPYRIDAZINE INHIBITOR
Descriptor:Cell division protein kinase 2, Cyclin-A2, (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
Authors:Steven, K., Reno, M., Alberti, J., Price, D., Kane-Carson, L., Knick, V., Shewchuk, L., Hassell, A., Veal, J., Peel, M.
Deposit date:2008-09-15
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EJ1
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CDK2/CYCLINA COMPLEXED WITH A PYRAZOLOPYRIDAZINE INHIBITOR
Descriptor:Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Authors:Stevens, K., Reno, M., Alberti, J., Price, D., Kane-Carson, L., Knick, V., Shewchuk, L., Hassell, A., Veal, J., Peel, M.
Deposit date:2008-09-17
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1KE5
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CDK2 COMPLEXED WITH N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Descriptor:Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE6
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Descriptor:Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.H., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE7
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE
Descriptor:Cell division protein kinase 2, 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.H., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE8
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE9
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Descriptor:Cell division protein kinase 2, 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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