Author results

2R3Q
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3R
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
1FDL
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CRYSTALLOGRAPHIC REFINEMENT OF THE THREE-DIMENSIONAL STRUCTURE OF THE FAB D1.3-LYSOZYME COMPLEX AT 2.5-ANGSTROMS RESOLUTION
Descriptor:IGG1-KAPPA D1.3 FAB (LIGHT CHAIN), IGG1-KAPPA D1.3 FAB (HEAVY CHAIN), HEN EGG WHITE LYSOZYME
Authors:Fischmann, T.O., Poljak, R.J.
Deposit date:1990-08-27
Release date:1991-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic refinement of the three-dimensional structure of the FabD1.3-lysozyme complex at 2.5-A resolution.
J.Biol.Chem., 266, 1991
2R3F
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3G
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3J
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3K
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3N
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3P
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CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O., Hruza, A.W., Madison, V.M., Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
3EQC
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A TERNARY COMPLEX WITH COMPOUND 1, ATP-GS AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQD
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A BINARY COMPLEX WITH ATP-GS AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQF
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A BINARY COMPLEX WITH K252A AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, K-252A, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQG
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A TERNARY COMPLEX WITH PD, ADP AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQH
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A TERNARY COMPLEX WITH U0126, ADP AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3EQI
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN A BINARY COMPLEX WITH ADP AND MG2P
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
3NOS
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HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE
Descriptor:ENDOTHELIAL NITRIC-OXIDE SYNTHASE, ZINC ION, N-OMEGA-HYDROXY-L-ARGININE, ...
Authors:Fischmann, T.O., Weber, P.C.
Deposit date:1999-02-03
Release date:2000-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.
Nat.Struct.Biol., 6, 1999
4NOS
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HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE WITH INHIBITOR
Descriptor:INDUCIBLE NITRIC OXIDE SYNTHASE, ZINC ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischmann, T.O., Weber, P.C.
Deposit date:1999-02-03
Release date:2000-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.
Nat.Struct.Biol., 6, 1999
5KX9
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SELECTIVE SMALL MOLECULE INHIBITION OF THE FMN RIBOSWITCH
Descriptor:FMN Riboswitch, POTASSIUM ION, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2016-07-20
Release date:2016-08-24
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
3OT3
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X-RAY CRYSTAL STRUCTURE OF COMPOUND 22K BOUND TO HUMAN CHK1 KINASE DOMAIN
Descriptor:Serine/threonine-protein kinase Chk1, 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O.
Deposit date:2010-09-10
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2.
Bioorg.Med.Chem.Lett., 21, 2011
3OT8
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X-RAY CRYSTAL STRUCTURE OF COMPOUND 17R BOUND TO HUMAN CHK1 KINASE DOMAIN
Descriptor:Serine/threonine-protein kinase Chk1, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, GLYCEROL
Authors:Fischmann, T.O.
Deposit date:2010-09-10
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6455 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Bioorg.Med.Chem.Lett., 21, 2011
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