Author results

3JRR
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CRYSTAL STRUCTURE OF THE LIGAND BINDING SUPPRESSOR DOMAIN OF TYPE 3 INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR
Descriptor:Inositol 1,4,5-trisphosphate receptor type 3
Authors:Chan, J., Ishiyama, N., Ikura, M.
Deposit date:2009-09-08
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 1.9 angstrom crystal structure of the suppressor domain of type 3 inositol 1,4,5-trisphosphate receptor
To be Published
3V01
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DISCOVERY OF NOVEL ALLOSTERIC MEK INHIBITORS POSSESSING CLASSICAL AND NON-CLASSICAL BIDENTATE SER212 INTERACTIONS.
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Heald, R., Jackson, P., Savy, P., Jones, M., Gancia, E., Burton, B., Newman, R., Boggs, J., Chan, E., Chan, J., Choo, E., Merchant, M., Ultsch, M., Wiesmann, C., Belvin, M., Price, S.
Deposit date:2011-12-07
Release date:2012-05-09
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
3V04
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DISCOVERY OF NOVEL ALLOSTERIC MEK INHIBITORS POSSESSING CLASSICAL AND NON-CLASSICAL BIDENTATE SER212 INTERACTIONS.
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Heald, R., Jackson, P., Savy, P., Jones, M., Gancia, E., Burton, B., Newman, R., Boggs, J., Chan, E., Chan, J., Choo, E., Merchant, M., Ultsch, M., Wiesmann, C., Belvin, M., Price, S.
Deposit date:2011-12-07
Release date:2012-05-09
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
3CIS
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THE CRYSTAL STRUCTURE OF RV2623 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Uncharacterized protein, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
Authors:Bilder, P., Drumm, J., Mi, K., Chan, J., Almo, S.
Deposit date:2008-03-11
Release date:2009-03-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of Rv2623 : a Novel, Tandem-Repeat Universal Stress Protein of Mycobacterium tuberculosis
To be Published
5FI4
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DISCOVERY OF IMIDAZO[1,2-A]-PYRIDINE INHIBITORS OF PAN-PI3 KINASES THAT ARE EFFICACIOUS IN A MOUSE XENOGRAFT MODEL
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, GLYCEROL, ...
Authors:Elling, R.A., Knapp, M.S., Han, W., Daniel, L.M., Xy, Y., Burger, M.T., Ni, Z., Smith, A., Lan, J., Williams, T., Verhagen, J., Huh, K., Merritt, H., Chan, J., Kaufman, S., Voliva, C.F., Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
1N4K
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CRYSTAL STRUCTURE OF THE INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR BINDING CORE IN COMPLEX WITH IP3
Descriptor:Inositol 1,4,5-trisphosphate receptor type 1, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
Authors:Bosanac, I., Alattia, J.R., Mal, T.K., Chan, J., Talarico, S., Tong, F.K., Tong, K.I., Yoshikawa, F., Furuichi, T., Iwai, M., Michikawa, T., Mikoshiba, K., Ikura, M.
Deposit date:2002-10-31
Release date:2002-12-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with its ligand.
Nature, 420, 2002
2XZI
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THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS
Descriptor:EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, (2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID, ...
Authors:Telford, J.C., Yeung, J.H.F., Kiefel, M.J., Watts, A.G., Hader, S., Chan, J., Bennet, A.J., Moore, M.M., Taylor, G.L.
Deposit date:2010-11-26
Release date:2011-01-19
Last modified:2011-08-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
2XZJ
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THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS
Descriptor:EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, SODIUM ION, ...
Authors:Telford, J.C., Yeung, J.H.F., Kiefel, M.J., Watts, A.G., Hader, S., Chan, J., Bennet, A.J., Moore, M.M., Taylor, G.L.
Deposit date:2010-11-26
Release date:2011-01-19
Last modified:2011-08-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
2XZK
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THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS
Descriptor:EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, ...
Authors:Telford, J.C., Yeung, J.H.F., Kiefel, M.J., Watts, A.G., Hader, S., Chan, J., Bennet, A.J., Moore, M.M., Taylor, G.L.
Deposit date:2010-11-26
Release date:2011-01-19
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
5K4I
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CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH COMPOUND 22
Descriptor:Mitogen-activated protein kinase 1, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, 1,2-ETHANEDIOL
Authors:Yin, J., Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4J
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CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH COMPOUND 22
Descriptor:Cyclin-dependent kinase 2, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
Authors:Yin, J., Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5VZ3
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GROWTH FACTOR CRYSTAL STRUCTURE AT 1.97 ANGSTROM RESOLUTION
Descriptor:Growth/differentiation factor 15
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5VZ4
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RECEPTOR-GROWTH FACTOR CRYSTAL STRUCTURE AT 2.20 ANGSTROM RESOLUTION
Descriptor:Growth/differentiation factor 15, GDNF family receptor alpha-like, BROMIDE ION, ...
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
4KZ0
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STRUCTURE OF PI3K GAMMA WITH IMIDAZOPYRIDINE INHIBITORS
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate, SULFATE ION
Authors:Knapp, M.S., Elling, R.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
4KZC
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STRUCTURE OF PI3K GAMMA WITH IMIDAZOPYRIDINE INHIBITORS
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, SULFATE ION
Authors:Knapp, M.S., Elling, E.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
5BV7
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CRYSTAL STRUCTURE OF HUMAN LCAT (L4F, N5D) IN COMPLEX WITH FAB OF AN AGONISTIC ANTIBODY
Descriptor:Phosphatidylcholine-sterol acyltransferase, 27C3 light chain, 27C3 heavy chain, ...
Authors:Piper, D.E., Romanow, W.G., Thibault, S.T., Walker, N.P.C.
Deposit date:2015-06-04
Release date:2015-12-16
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism.
J.Biol.Chem., 291, 2016
5DWR
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IDENTIFICATION OF N-(4-((1R,3S,5S)-3-AMINO-5-METHYLCYCLOHEXYL)PYRIDIN-3-YL)-6-(2,6-DIFLUOROPHENYL)-5-FLUOROPICOLINAMIDE (PIM447), A POTENT AND SELECTIVE PROVIRAL INSERTION SITE OF MOLONEY MURINE LEUKEMIA (PIM) 1,2 AND 3 KINASE INHIBITOR IN CLINICAL TRIALS FOR HEMATOLOGICAL MALIGNANCIES
Descriptor:Serine/threonine-protein kinase pim-1, N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Authors:Bellamacina, C., Bussiere, D., Burger, M.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
5KZA
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CRYSTAL STRUCTURE OF THE ROUS SARCOMA VIRUS MATRIX PROTEIN (AA 2-102). SPACE GROUP I41
Descriptor:virus matrix protein, NITRATE ION, 1,2-ETHANEDIOL
Authors:Kingston, R.L., Chan, J., Vogt, V.M.
Deposit date:2016-07-24
Release date:2017-07-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
5KZB
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CRYSTAL STRUCTURE OF THE ROUS SARCOMA VIRUS MATRIX PROTEIN (AA 2-102). SPACE GROUP I4122
Descriptor:Virus Matrix Protein
Authors:Kingston, R.L., Chan, J., Vogt, V.M.
Deposit date:2016-07-24
Release date:2017-07-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
6B8U
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CRYSTALS STRUCTURE OF B-RAF KINASE DOMAIN IN COMPLEX WITH AN IMIDAZOPYRIDINYL BENZAMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Appleton, B.A., Murray, J., Shafer, C.M.
Deposit date:2017-10-09
Release date:2017-11-22
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2XCY
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CRYSTAL STRUCTURE OF ASPERGILLUS FUMIGATUS SIALIDASE
Descriptor:EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, CHLORIDE ION, ...
Authors:Telford, J.C., Yeung, J., Xu, G., Bennet, A., Moore, M.M., Taylor, G.L.
Deposit date:2010-04-27
Release date:2010-05-12
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
3PUH
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COCAINE ESTERASE, WILD-TYPE BIOLOGICALLY ACTIVE DIMER
Descriptor:Cocaine esterase, GLYCEROL, SULFATE ION
Authors:Nance, M.R., Tesmer, J.J.G.
Deposit date:2010-12-04
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Mol.Pharmacol., 80, 2011
3PUI
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COCAINE ESTERASE WITH MUTATIONS G4C, S10C
Descriptor:Cocaine esterase, CHLORIDE ION, SODIUM ION
Authors:Nance, M.R., Tesmer, J.J.G.
Deposit date:2010-12-04
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Mol.Pharmacol., 80, 2011
3VOD
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CRYSTAL STRUCTURE OF MUTANT MARR C80S FROM E.COLI
Descriptor:Multiple antibiotic resistance protein marR
Authors:Lou, H., Zhu, R., Hao, Z.
Deposit date:2012-01-21
Release date:2013-03-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
4JBA
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CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF MARR FROM E.COLI
Descriptor:Multiple antibiotic resistance protein MarR
Authors:Lou, H., Zhu, R., Hao, Z.
Deposit date:2013-02-19
Release date:2013-10-16
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
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