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1IA1
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)
Descriptor:DIHYDROFOLATE REDUCTASE, PHOSPHATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA2
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, ...
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA3
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEX IN WHICH THE DIHYDRONICOTINAMIDE MOIETY OF DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) IS DISPLACED BY 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, ...
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1IA4
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEX IN WHICH THE DIHYDRONICOTINAMIDE MOIETY OF DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) IS DISPLACED BY 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, ...
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2001-03-22
Release date:2001-04-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
1M78
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2002-07-19
Release date:2003-03-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
1M79
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE (GW1466)
Descriptor:dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE, ...
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2002-07-19
Release date:2003-03-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex
J.Biol.Chem., 272, 1997
1M7A
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE (GW557)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE
Authors:Whitlow, M., Howard, A.J., Kuyper, L.F.
Deposit date:2002-07-19
Release date:2003-03-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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
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
1AOE
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345)
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE
Authors:Whitlow, M., Howard, A.J., Stewart, D.
Deposit date:1997-07-02
Release date:1998-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
J.Biol.Chem., 272, 1997
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
1AI9
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CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE
Descriptor:DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Whitlow, M., Howard, A.J., Stewart, D.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.
J.Biol.Chem., 272, 1997