Author results

1G5B
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BACTERIOPHAGE LAMBDA SER/THR PROTEIN PHOSPHATASE
Descriptor:SERINE/THREONINE PROTEIN PHOSPHATASE, MANGANESE (II) ION, MERCURY (II) ION, ...
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:2018-01-31
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
1JK0
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RIBONUCLEOTIDE REDUCTASE Y2Y4 HETERODIMER
Descriptor:ribonucleoside-diphosphate reductase small chain 1, ribonucleoside-diphosphate reductase small chain 2, ZINC ION
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:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the yeast ribonucleotide reductase Y2Y4 heterodimer.
Proc.Natl.Acad.Sci.USA, 98, 2001
1PGU
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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:2011-07-13
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
1PI6
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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:2011-07-13
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
1PIM
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DITHIONITE REDUCED E. COLI RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT, D84E MUTANT
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION
Authors:Voegtli, W.C., Khidekel, N., Baldwin, J., Ley, B.A., Bollinger Jr., J.M., Rosenzweig, A.C.
Deposit date:2003-05-30
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Ribonucleotide Reductase R2 Mutant that Accumulates a u-1,2-Peroxodiiron(III) Intermediate during Oxygen Activation
J.Am.Chem.Soc., 122, 2000
1PIU
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OXIDIZED RIBONUCLEOTIDE REDUCTASE R2-D84E MUTANT CONTAINING OXO-BRIDGED DIFERRIC CLUSTER
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION, ...
Authors:Voegtli, W.C., Khidekel, N., Baldwin, J., Ley, B.A., Bollinger Jr., J.M., Rosenzweig, A.C.
Deposit date:2003-05-30
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Ribonucleotide Reductase R2 Mutant that Accumulates a u-1,2-Peroxodiiron(III) Intermediate during Oxygen Activation
J.Am.Chem.Soc., 122, 2000
1PIY
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RIBONUCLEOTIDE REDUCTASE R2 SOAKED WITH FERROUS ION AT NEUTRAL PH
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION
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:2011-07-13
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
1PIZ
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RIBONUCLEOTIDE REDUCTASE R2 D84E MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION
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:2011-07-13
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
1PJ0
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RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION
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:2011-07-13
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
1PJ1
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RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F SOAKED WITH FERROUS IONS AT PH 5
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (III) ION, MERCURY (II) ION
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:2011-07-13
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
1PM2
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CRYSTAL STRUCTURE OF MANGANESE SUBSTITUTED R2-D84E (D84E MUTANT OF THE R2 SUBUNIT OF E. COLI RIBONUCLEOTIDE REDUCTASE)
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, MANGANESE (II) ION, MERCURY (II) ION
Authors:Voegtli, W.C., Sommerhalter, M., Baldwin, J., Saleh, L., Bollinger Jr., J.M., Rosenzweig, A.C.
Deposit date:2003-06-09
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
1R65
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CRYSTAL STRUCTURE OF FERROUS SOAKED RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT (WILDTYPE) AT PH 5 FROM E. COLI
Descriptor:Ribonucleoside-diphosphate reductase 1 beta chain, FE (II) ION, MERCURY (II) ION
Authors:Voegtli, W.C., Sommerhalter, M., Saleh, L., Baldwin, J., Bollinger Jr., J.M., Rosenzweig, A.C.
Deposit date:2003-10-14
Release date:2004-01-13
Last modified:2018-02-14
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
3O96
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CRYSTAL STRUCTURE OF HUMAN AKT1 WITH AN ALLOSTERIC INHIBITOR
Descriptor:RAC-alpha serine/threonine-protein kinase, 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
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:2011-07-13
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
3PPJ
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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:2011-07-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PPK
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HUMAN B-RAF KINASE IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
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:2019-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PRF
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CRYSTAL STRUCTURE OF HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
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:2019-07-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PRI
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CRYSTAL STRUCTURE OF HUMAN B-RAF KINASE IN COMPLEX WITH A NON-OXIME FUROPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol
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:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3SKC
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HUMAN B-RAF KINASE IN COMPLEX WITH AN AMIDE LINKED PYRAZOLOPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide
Authors:Voegtli, W.C., Sturgis, H.L.
Deposit date:2011-06-22
Release date:2011-08-17
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
3TV4
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HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH AN BROMOPYRIDINE BENZAMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
Authors:Voegtli, W.C., Selby, L.T., Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2019-07-17
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
3TV6
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HUMAN B-RAF KINASE DOMAIN IN COMPLEX WITH A METHOXYPYRAZOLOPYRIDINYL BENZAMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide
Authors:Voegtli, W.C., Sturgis, H.L., Wu, W.-I.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2019-07-17
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
4E4X
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CRYSTAL STRUCTURE OF B-RAF KINASE DOMAIN IN COMPLEX WITH A DIHYDROPYRIDO[2,3-D]PYRIMIDINONE-BASED INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 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
Authors:Voegtli, W.C., Sturgis, H.L.
Deposit date:2012-03-13
Release date:2012-05-09
Last modified:2012-05-23
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
4EHE
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B-RAF KINASE DOMAIN IN COMPLEX WITH AN AMINOTHIENOPYRIMIDINE-BASED INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
Authors:Voegtli, W.C.
Deposit date:2012-04-02
Release date:2013-04-24
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
4EHG
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B-RAF KINASE DOMAIN IN COMPLEX WITH AN AMINOPYRIDIMINE-BASED INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
Authors:Voegtli, W.C.
Deposit date:2012-04-02
Release date:2013-04-24
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
4G9C
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HUMAN B-RAF KINASE DOMAIN BOUND TO A TYPE II PYRAZOLOPYRIDINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
Authors:Voegtli, W.C., Sturgis, H.L.
Deposit date:2012-07-23
Release date:2012-11-14
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
4G9R
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B-RAF V600E KINASE DOMAIN BOUND TO A TYPE II DIHYDROQUINAZOLINE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide
Authors:Voegtli, W.C., Sturgis, H.L.
Deposit date:2012-07-24
Release date:2012-11-14
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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