Author results

3VO3
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF HUMAN VEGFR2 WITH IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE
Descriptor:Vascular endothelial growth factor receptor 2, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, 1,2-ETHANEDIOL
Authors:Oki, H., Okada, K.
Deposit date:2012-01-19
Release date:2013-03-06
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
2ZW2
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CRYSTAL STRUCTURE OF FORMYLGLYCINAMIDE RIBONUCLEOTIDE AMIDOTRANSFERASE III FROM SULFOLOBUS TOKODAII (STPURS)
Descriptor:Putative uncharacterized protein STS178, GLYCEROL
Authors:Suzuki, S., Tamura, S., Okada, K., Baba, S., Kumasaka, T., Nakagawa, N., Masui, R., Kuramitsu, S., Sampei, G., Kawai, G.
Deposit date:2008-11-27
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Formylglycinamide Ribonucleotide Amidotransferase III from SULFOLOBUS TOKODAII (STPURS)
To be Published
3VHE
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CRYSTAL STRUCTURE OF HUMAN VEGFR2 KINASE DOMAIN WITH A NOVEL PYRROLOPYRIMIDINE INHIBITOR.
Descriptor:Vascular endothelial growth factor receptor 2, 1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
Authors:Oguro, Y., Miyamoto, N., Okada, K., Takagi, T., Iwata, H., Awazu, Y., Miki, H., Hori, A., Kamiyama, K., Imanura, S.
Deposit date:2011-08-24
Release date:2011-11-02
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation.
Bioorg.Med.Chem., 18, 2010
3AOW
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CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH AKG
Descriptor:Putative uncharacterized protein PH0207, PYRIDOXAL-5'-PHOSPHATE, 2-OXOGLUTARIC ACID
Authors:Okada, K., Angkawidjaja, C., Koga, Y., Takano, K., Kanaya, S.
Deposit date:2010-10-07
Release date:2011-10-12
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Characterization of kynurenine aminotransferase from hyperthermophilic archaeon: enzymatic activity for conversion to kynurenic acid is allosterically regulated by alpha-ketoglutaric acid cooperatively with kynurenine
To be Published
3WX9
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CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH PMP, GLA, 4AD, 2OG, GLU AND KYA
Descriptor:Putative uncharacterized protein PH0207, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 2-OXOGLUTARIC ACID, ...
Authors:Okada, K., Angkawidjaja, C., Koga, Y., Kanaya, S.
Deposit date:2014-07-28
Release date:2014-09-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Pyrococcus horikoshii kynurenine aminotransferase in complex with PMP, GLA, 4AD, 2OG, GLU and KYA
To be Published
5WJJ
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STRUCTURE-BASED DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF IMIDAZO[1,2-B]PYRIDAZINE-BASED P38 MAP KINASE INHIBITORS
Descriptor:Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
Authors:Snell, G.P., Okada, K., Bragstad, K., Sang, B.-C.
Deposit date:2017-07-23
Release date:2018-01-17
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
3ATH
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CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH FOUR AKGS AS SUBSTRATES AND ALLOSTERIC EFFECTORS
Descriptor:Putative uncharacterized protein PH0207, PYRIDOXAL-5'-PHOSPHATE, 2-OXOGLUTARIC ACID
Authors:Okada, K., Angkawidjaja, C., Koga, Y., Takano, K., Kanaya, S.
Deposit date:2011-01-05
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Characterization of kynurenine aminotransferase from hyperthermophilic archaeon: enzymatic activity for conversion to kynurenic acid is allosterically regulated by alpha-ketoglutaric acid cooperatively with kynurenine
To be Published
3AOV
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CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH PLP
Descriptor:Putative uncharacterized protein PH0207, PYRIDOXAL-5'-PHOSPHATE
Authors:Okada, K., Angkawidjaja, C., Koga, Y., Takano, K., Kanaya, S.
Deposit date:2010-10-07
Release date:2011-10-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Characterization of kynurenine aminotransferase from hyperthermophilic archaeon: enzymatic activity for conversion to kynurenic acid is allosterically regulated by alpha-ketoglutaric acid cooperatively with kynurenine
To be Published
1BJW
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ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS
Descriptor:ASPARTATE AMINOTRANSFERASE, PHOSPHATE ION
Authors:Nakai, T., Okada, K., Kuramitsu, S., Hirotsu, K., RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:1998-06-30
Release date:1999-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Thermus thermophilus HB8 aspartate aminotransferase and its complex with maleate.
Biochemistry, 38, 1999
3AV7
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CRYSTAL STRUCTURE OF PYROCOCCUS HORIKOSHII KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH PMP, KYN AS SUBSTRATES AND KYA AS PRODUCTS
Descriptor:Putative uncharacterized protein PH0207, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, ...
Authors:Okada, K., Angkawidjaja, C., Koga, Y., Takano, K., Kanaya, S.
Deposit date:2011-02-23
Release date:2012-03-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insight into kynurenic acid excretion mechanisms of kynurenine aminotransferase in the hyperthermophilic archaeon Pyrococcus horikoshii
To be Published
5UAB
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MET TYROSINE KINASE INHIBITION ENHANCES THE ANTITUMOR EFFICACY OF AN HGF ANTIBODY
Descriptor:Hepatocyte growth factor receptor, N-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide, GLYCEROL, ...
Authors:Hoffman, I.D., Lawson, J.D.
Deposit date:2016-12-19
Release date:2017-05-31
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody.
Mol. Cancer Ther., 16, 2017
2ZFX
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CRYSTAL STRUCTURE OF THE RAT VITAMIN D RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH YR301 AND A SYNTHETIC PEPTIDE CONTAINING THE NR2 BOX OF DRIP 205
Descriptor:Vitamin D3 receptor, DRIP 205 NR2 box peptide, (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
Authors:Kakuda, S., Takimoto-Kamimura, M.
Deposit date:2008-01-15
Release date:2009-01-20
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301
Acta Crystallogr.,Sect.F, 64, 2008
1AUG
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CRYSTAL STRUCTURE OF THE PYROGLUTAMYL PEPTIDASE I FROM BACILLUS AMYLOLIQUEFACIENS
Descriptor:PYROGLUTAMYL PEPTIDASE-1
Authors:Odagaki, Y., Hayashi, A., Okada, K., Hirotsu, K., Kabashima, T., Ito, K., Yoshimoto, T., Tsuru, D., Sato, M., Clardy, J.
Deposit date:1997-08-26
Release date:1999-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of pyroglutamyl peptidase I from Bacillus amyloliquefaciens reveals a new structure for a cysteine protease.
Structure Fold.Des., 7, 1999
1G4V
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/Y225F
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-10-28
Release date:2000-11-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
6ANL
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STRUCTURE-BASED DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF IMIDAZO[1,2-B]PYRIDAZINE-BASED P38 MAP KINASE INHIBITORS
Descriptor:Mitogen-activated protein kinase 14, TAK-715
Authors:Snell, G.P., Okada, K., Bragstad, K., Sang, B.-C.
Deposit date:2017-08-14
Release date:2018-01-17
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
4P58
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CRYSTAL STRUCTURE OF MOUSE COMT BOUND TO AN INHIBITOR
Descriptor:Catechol O-methyltransferase, 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
Authors:Lanier, M.
Deposit date:2014-03-15
Release date:2014-06-25
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
1I1K
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CRYSTAL STRUCTURE OF ESCHELICHIA COLI BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE.
Descriptor:BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Okada, K., Hirotsu, K., Hayashi, H., Kagamiyama, H.
Deposit date:2001-02-02
Release date:2001-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Escherichia coli branched-chain amino acid aminotransferase and its complexes with 4-methylvalerate and 2-methylleucine: induced fit and substrate recognition of the enzyme.
Biochemistry, 40, 2001
3VW8
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CRYSTAL STRUCTURE OF HUMAN C-MET KINASE DOMAIN WITH ITS INHIBITOR
Descriptor:Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide, CHLORIDE ION
Authors:Matsumoto, S., Miyamoto, N., Hirayama, T., Oki, H., Okada, K., Tawada, M., Iwata, H., Miki, H., Nakamura, K., Hori, A., Imamura, S.
Deposit date:2012-08-08
Release date:2013-08-14
Last modified:2013-12-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors.
Bioorg.Med.Chem., 2013
5KOT
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DISCOVERY OF TAK-272: A NOVEL, POTENT AND ORALLY ACTIVE RENIN IN-HIBITOR
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, ...
Authors:Snell, G.P., Behnke, C.A., Okada, K., Hideyuki, O., Sang, B.-C., Lane, W.
Deposit date:2016-07-01
Release date:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor
To be published
5SXN
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STRUCTURE-BASED DESIGN OF A NEW SERIES OF N-PIPERIDIN-3-YLPYRIMIDINE-5-CARBOXAMIDES AS RENIN INHIBITORS
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, N-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine, ...
Authors:Snell, G.P., Behnke, C.A., Okada, K., Hideyuki, O., Sang, B.-C., Lane, W.
Deposit date:2016-08-09
Release date:2016-11-02
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
1G4X
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R292L
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H.
Deposit date:2000-10-29
Release date:2000-11-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
1G7W
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R386L
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-11-15
Release date:2000-11-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
1G7X
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R292L/R386L
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-11-15
Release date:2000-11-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
3AX6
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CRYSTAL STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE FROM THERMOTOGA MARITIMA
Descriptor:Phosphoribosylaminoimidazole carboxylase, ATPase subunit, ADENOSINE-5'-DIPHOSPHATE
Authors:Miyazawa, R., Kanagawa, M., Baba, S., Nakagawa, N., Ebihara, A., Kuramitsu, S., Yokoyama, S., Kawai, G., Sampei, G., RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-03-30
Release date:2012-04-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of N5-carboxyaminoimidazole ribonucleotide synthetase, PurK, from thermophilic bacteria
To be Published
5TMG
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OPTIMIZATION OF 3,5-DISUBSTITUED PIPERIDINE: DISCOVERY OF NON-PEPTIDE MIMETICS AS AN ORALLY ACTIVE RENIN INHIBITOR
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, ...
Authors:Snell, G.P., Behnke, C.A., Okada, K., Hideyuki, O., Sang, B.C., Lane, W.
Deposit date:2016-10-12
Release date:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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