Author results

1IXF
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CRYSTAL STRUCTURE OF THE K INTERMEDIATE OF BACTERIORHODOPSIN
Descriptor:bacteriorhodopsin, ALPHA-D-GLUCOSE, ALPHA-D-MANNOSE, ...
Authors:Matsui, Y., Sakai, K., Murakami, M., Shiro, Y., Adachi, S., Okumura, H., Kouyama, T., RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-06-20
Release date:2002-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Specific Damage Induced by X-ray Radiation and Structural Changes in the Primary Photoreaction of Bacteriorhodopsin
J.MOL.BIOL., 324, 2002
5WVD
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STRUCTURE OF MNK1 IN COMPLEX WITH DS12881479
Descriptor:MAP kinase interacting serine/threonine kinase 1, SULFATE ION, 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2016-12-24
Release date:2018-01-03
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel inhibitor stabilizes the inactive conformation of MAPK-interacting kinase 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5AVI
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CRYSTAL STRUCTURE OF LXRALPHA IN COMPLEX WITH TERT-BUTYL BENZOATE ANALOG, COMPOUND 4
Descriptor:Oxysterols receptor LXR-alpha, Nuclear receptor coactivator 1, tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate
Authors:Matsui, Y., Hanzawa, H., Tamaki, K.
Deposit date:2015-06-16
Release date:2015-08-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
5AVL
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CRYSTAL STRUCTURE OF LXRALPHA IN COMPLEX WITH TERT-BUTYL BENZOATE ANALOG, COMPOUND 32B
Descriptor:Oxysterols receptor LXR-alpha, Nuclear receptor coactivator 1, 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
Authors:Matsui, Y., Hanzawa, H., Tamaki, K.
Deposit date:2015-06-17
Release date:2015-08-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
5X1V
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PKM2 IN COMPLEX WITH COMPOUND 2
Descriptor:Pyruvate kinase PKM, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
5X1W
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PKM2 IN COMPLEX WITH COMPOUND 5
Descriptor:Pyruvate kinase PKM, BETA-FRUCTOSE-1,6-DIPHOSPHATE, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
5Z5S
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH COMPOUND 13AB
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, ...
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2018-01-19
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
5Z6S
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH COMPOUND DS-6930
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, ...
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2018-01-25
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
3B1M
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR CERCO-A
Descriptor:Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Authors:Matsui, Y., Hiroyuki, H.
Deposit date:2011-07-05
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A
Biol.Pharm.Bull., 34, 2011
3LMP
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide of Nuclear receptor coactivator 1, (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
3V9T
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
3V9V
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2011
3V9Y
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Nuclear receptor coactivator 1, 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22, 2012
4F9M
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH A CERCOSPORAMIDE DERIVATIVE MODULATOR
Descriptor:Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1, (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2012-05-19
Release date:2012-08-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54, 2012
6IZM
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH COMPOUND 1L
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930
Acs Med.Chem.Lett., 10, 2019
6IZN
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CRYSTAL STRUCTURE OF THE PPARGAMMA-LBD COMPLEXED WITH COMPOUND 3G
Descriptor:Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Authors:Matsui, Y., Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930
Acs Med.Chem.Lett., 10, 2019
6JIB
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HUMAN MTHFD2 IN COMPLEX WITH DS44960156
Descriptor:Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, ...
Authors:Suzuki, M., Matsui, Y., Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6JID
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HUMAN MTHFD2 IN COMPLEX WITH COMPOUND 1
Descriptor:Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, ...
Authors:Suzuki, M., Matsui, Y., Matsuhashi, N., Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
3VYE
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HUMAN RENIN IN COMPLEX WITH INHIBITOR 7
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
Authors:Takahashi, M., Matsui, Y., Hanzawa, H.
Deposit date:2012-09-24
Release date:2012-12-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1C1F
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LIGAND-FREE CONGERIN I
Descriptor:PROTEIN (CONGERIN I)
Authors:Shirai, T., Mitsuyama, C., Niwa, Y., Matsui, Y., Hotta, H., Yamane, T., Kamiya, H., Ishii, C., Ogawa, T., Muramoto, K.
Deposit date:1999-03-03
Release date:1999-10-08
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
1C1L
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LACTOSE-LIGANDED CONGERIN I
Descriptor:PROTEIN (CONGERIN I), BETA-D-GALACTOSE, BETA-D-GLUCOSE
Authors:Shirai, T., Mitsuyama, C., Niwa, Y., Matsui, Y., Hotta, H., Yamane, T., Kamiya, H., Ishii, C., Ogawa, T., Muramoto, K.
Deposit date:1999-03-03
Release date:1999-10-08
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structure of the conger eel galectin, congerin I, in lactose-liganded and ligand-free forms: emergence of a new structure class by accelerated evolution.
Structure Fold.Des., 7, 1999
3VUC
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HUMAN RENIN IN COMPLEX WITH COMPOUND 5
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
Authors:Takahashi, M., Matsui, Y., Hanzawa, H.
Deposit date:2012-06-26
Release date:2013-05-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor
ACS MED.CHEM.LETT., 3, 2012
1DZE
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STRUCTURE OF THE M INTERMEDIATE OF BACTERIORHODOPSIN TRAPPED AT 100K
Descriptor:BACTERIORHODOPSIN (M INTERMEDIATE), RETINAL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ...
Authors:Takeda, K., Matsui, Y., Sato, H., Hino, T., Kanamori, E., Okumura, H., Yamane, T., Iizuka, T., Kamiya, N., Adachi, S., Kouyama, T.
Deposit date:2000-02-25
Release date:2000-08-16
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the M Intermediate of Bacteriorhodopsin: Allosteric Structural Changes Mediated by Sliding Movement of a Transmembrane Helix
J.Mol.Biol., 341, 2004
1IS3
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LACTOSE AND MES-LIGANDED CONGERIN II
Descriptor:CONGERIN II, BETA-LACTOSE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Shirai, T., Matsui, Y., Shionyu-Mitsuyama, C., Yamane, T., Kamiya, H., Ishii, C., Ogawa, T., Muramoto, K.
Deposit date:2001-11-12
Release date:2002-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
1IS4
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LACTOSE-LIGANDED CONGERIN II
Descriptor:CONGERIN II, BETA-LACTOSE
Authors:Shirai, T., Matsui, Y., Shionyu-Mitsuyama, C., Yamane, T., Kamiya, H., Ishii, C., Ogawa, T., Muramoto, K.
Deposit date:2001-11-12
Release date:2002-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Conger Eel Galectin (Congerin II) at 1.45 A Resolution: Implication for the Accelerated Evolution of a New Ligand-Binding Site Following Gene Duplication
J.Mol.Biol., 321, 2002
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