Author results

6B4W
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TTK IN COMPLEX WITH INHIBITOR
Descriptor:Dual specificity protein kinase TTK, 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION
Authors:Delker, S., Chamberlain, P.P.
Deposit date:2017-09-27
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
4TZ4
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CRYSTAL STRUCTURE OF HUMAN CEREBLON IN COMPLEX WITH DDB1 AND LENALIDOMIDE
Descriptor:DNA damage-binding protein 1, Protein cereblon, ZINC ION, ...
Authors:Chamberlain, P.P., Pagarigan, B., Delker, S., Leon, B., Riley, M.
Deposit date:2014-07-09
Release date:2014-08-06
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
To Be Published
4OTD
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN
Descriptor:Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTG
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH LESTAURTINIB
Descriptor:Serine/threonine-protein kinase N1, Lestaurtinib
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTH
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH RO-31-8220
Descriptor:Serine/threonine-protein kinase N1, BISINDOLYLMALEIMIDE IX
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTI
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CRYSTAL STRUCTURE OF PRK1 CATALYTIC DOMAIN IN COMPLEX WITH TOFACITINIB
Descriptor:Serine/threonine-protein kinase N1, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
Authors:Chamberlain, P.P., Delker, S., Pagarigan, B., Mahmoudi, A., Jackson, P., Abbassian, M., Muir, J., Raheja, N., Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4TZC
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CRYSTAL STRUCTURE OF MURINE CEREBLON IN COMPLEX WITH THALIDOMIDE
Descriptor:Protein cereblon, ZINC ION, S-Thalidomide, ...
Authors:Chamberlain, P.P., Pagarigan, B., Delker, S., Leon, B.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
to be published
4TZU
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CRYSTAL STRUCTURE OF MURINE CEREBLON IN COMPLEX WITH POMALIDOMIDE
Descriptor:Protein cereblon, SULFATE ION, ZINC ION, ...
Authors:Chamberlain, P.P., Pagarigan, B., Delker, S., Leon, B.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
to be published
3PNE
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((2,2-DIFLUORO-2-(3-CHLOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S., Poulos, T.L.
Deposit date:2010-11-18
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54, 2011
3PNF
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((2,2-DIFLUORO-2-(2-CHLOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S., Poulos, T.L.
Deposit date:2010-11-18
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54, 2011
3PNG
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((2-FLUORO-2-(3-FLUOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S., Poulos, T.L.
Deposit date:2010-11-18
Release date:2011-10-05
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011