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5X1V
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BU of 5x1v by Molmil
PKM2 in complex with compound 2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Last modified:2024-03-20
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
1IXF
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BU of 1ixf by Molmil
Crystal Structure of the K intermediate of bacteriorhodopsin
Descriptor: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ...
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:2023-10-25
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
5AVI
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BU of 5avi by Molmil
Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4
Descriptor: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, 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
Last modified:2023-11-08
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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BU of 5avl by Molmil
Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b
Descriptor: 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha
Authors:Matsui, Y, Hanzawa, H, Tamaki, K.
Deposit date:2015-06-17
Release date:2015-08-26
Last modified:2023-11-08
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
5WVD
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BU of 5wvd by Molmil
Structure of Mnk1 in complex with DS12881479
Descriptor: 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide, MAP kinase interacting serine/threonine kinase 1, SULFATE ION
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2016-12-24
Release date:2018-01-03
Last modified:2023-11-22
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
5X1W
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BU of 5x1w by Molmil
PKM2 in complex with compound 5
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 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, Pyruvate kinase PKM
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Last modified:2023-11-22
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
6IZN
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BU of 6izn by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 3g
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
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
6IZM
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BU of 6izm by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 1l
Descriptor: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-12-20
Release date:2019-03-27
Last modified:2023-11-22
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
4F9M
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BU of 4f9m by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (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, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2012-05-19
Release date:2012-08-08
Last modified:2023-11-08
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
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
3B1M
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BU of 3b1m by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A
Descriptor: (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, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Matsui, Y, Hiroyuki, H.
Deposit date:2011-07-05
Release date:2011-08-24
Last modified:2023-11-01
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
5Z5S
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BU of 5z5s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 13ab
Descriptor: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-19
Release date:2018-10-17
Last modified:2023-11-22
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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BU of 5z6s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound DS-6930
Descriptor: 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-25
Release date:2018-10-17
Last modified:2023-11-22
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
3V9Y
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BU of 3v9y by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: 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, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Last modified:2023-11-08
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
3V9T
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BU of 3v9t by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (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, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2011-12-28
Release date:2012-02-01
Last modified:2023-11-08
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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BU of 3v9v by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma, 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
Last modified:2023-11-08
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
1C1F
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BU of 1c1f by Molmil
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:2023-12-27
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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BU of 1c1l by Molmil
LACTOSE-LIGANDED CONGERIN I
Descriptor: PROTEIN (CONGERIN I), beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
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:2023-08-09
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
6JIB
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BU of 6jib by Molmil
Human MTHFD2 in complex with DS44960156
Descriptor: 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Suzuki, M, Matsui, Y, Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2023-11-22
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
1DZE
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BU of 1dze by Molmil
Structure of the M Intermediate of Bacteriorhodopsin trapped at 100K
Descriptor: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 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:2023-12-06
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
6JID
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BU of 6jid by Molmil
Human MTHFD2 in complex with Compound 1
Descriptor: 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, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2023-11-22
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
1IS4
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BU of 1is4 by Molmil
LACTOSE-LIGANDED CONGERIN II
Descriptor: CONGERIN II, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
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:2023-12-27
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
1IW9
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BU of 1iw9 by Molmil
Crystal Structure of the M Intermediate of Bacteriorhodopsin
Descriptor: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ...
Authors:Takeda, K, Matsui, Y, Kamiya, N, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-04-25
Release date:2003-12-23
Last modified:2023-10-25
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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BU of 1is3 by Molmil
LACTOSE AND MES-LIGANDED CONGERIN II
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CONGERIN II, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
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:2023-10-25
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
1IS5
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BU of 1is5 by Molmil
Ligand free Congerin II
Descriptor: Congerin II
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:2023-12-27
Method:X-RAY DIFFRACTION (2 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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