4RCH
 
 | | Discovery of 2-Pyridyl Ureas as Glucokinase Activators | | Descriptor: | 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose | | Authors: | Voegtli, W, Vigers, G.P.A. | | Deposit date: | 2014-09-16 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
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1JK0
 | | Ribonucleotide reductase Y2Y4 heterodimer | | Descriptor: | ZINC ION, ribonucleoside-diphosphate reductase small chain 1, ribonucleoside-diphosphate reductase small chain 2 | | Authors: | Voegtli, W.C, Perlstein, D.L, Ge, J, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2001-07-10 | | Release date: | 2001-09-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the yeast ribonucleotide reductase Y2Y4 heterodimer.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1G5B
 | | BACTERIOPHAGE LAMBDA SER/THR PROTEIN PHOSPHATASE | | Descriptor: | MANGANESE (II) ION, MERCURY (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE, ... | | Authors: | Voegtli, W.C, White, D.J, Reiter, N.J, Rusnak, F, Rosenzweig, A.C. | | Deposit date: | 2000-10-31 | | Release date: | 2001-03-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of the bacteriophage lambda Ser/Thr protein phosphatase with sulfate ion bound in two coordination modes.
Biochemistry, 39, 2000
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4EHE
 | | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | | Descriptor: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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4EHG
 | | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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3TV6
 | | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | | Descriptor: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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3TV4
 | | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | | Descriptor: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Selby, L.T, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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4MLE
 | | Human Glucokinase in Complex with Novel Amino Thiazole Activator | | Descriptor: | 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose | | Authors: | Voegtli, W.C. | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
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4MLH
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3O96
 | | Crystal Structure of Human AKT1 with an Allosteric Inhibitor | | Descriptor: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase | | Authors: | Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
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3SKC
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4E4X
 | | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
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4G9R
 | | B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-07-24 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4G9C
 | | Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | | Descriptor: | 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-07-23 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4MBJ
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3PRF
 | | Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor | | Descriptor: | 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-29 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PRI
 | | Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | Descriptor: | 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-29 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PPK
 | | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | | Descriptor: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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3PPJ
 | | Human B-Raf Kinase in Complex with a Furopyridine Inhibitor | | Descriptor: | Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
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1PJ1
 | | RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F SOAKED WITH FERROUS IONS AT PH 5 | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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1PIY
 | | RIBONUCLEOTIDE REDUCTASE R2 SOAKED WITH FERROUS ION AT NEUTRAL PH | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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1PGU
 | | YEAST ACTIN INTERACTING PROTEIN 1 (AIP1), Se-Met PROTEIN, MONOCLINIC CRYSTAL FORM | | Descriptor: | Actin interacting protein 1, ZINC ION | | Authors: | Voegtli, W.C, Madrona, A.Y, Wilson, D.K. | | Deposit date: | 2003-05-28 | | Release date: | 2003-07-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of Aip1p, a WD repeat protein that regulates Cofilin-mediated actin depolymerization.
J.Biol.Chem., 278, 2003
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1PJ0
 | | RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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1PI6
 | | YEAST ACTIN INTERACTING PROTEIN 1 (Aip1), ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | Actin interacting protein 1, ZINC ION | | Authors: | Voegtli, W.C, Madrona, A.Y, Wilson, D.K. | | Deposit date: | 2003-05-29 | | Release date: | 2003-07-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Aip1p, a WD repeat protein that regulates Cofilin-mediated actin depolymerization.
J.Biol.Chem., 278, 2003
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1PIZ
 | | RIBONUCLEOTIDE REDUCTASE R2 D84E MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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