Author results

3AN3
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO3S
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3AN4
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MO4R
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
Authors:Oyama, T., Ohashi, M., Waku, T., Miyachi, H., Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
3VSO
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MEKT21
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
Authors:Oyama, T., Waku, T., Ohashi, M., Morikawa, K., Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
4YT1
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMMA SELECTIVE SYNTHETIC PARTIAL AGONIST MEKT76
Descriptor:Peroxisome proliferator-activated receptor gamma, N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
Authors:Oyama, T., Ohashi, M., Miyachi, H., Kusunoki, M.
Deposit date:2015-03-17
Release date:2016-03-02
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peroxisome proliferator-activated receptor gamma (PPAR gamma ) has multiple binding points that accommodate ligands in various conformations: Structurally similar PPAR gamma partial agonists bind to PPAR gamma LBD in different conformations
Bioorg.Med.Chem.Lett., 25, 2015
7BQJ
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THE STRUCTURE OF PDXI
Descriptor:Methyltransf_2 domain-containing protein, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQK
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THE STRUCTURE OF PDXI IN COMPLEX WITH ITS SUBSTRATE ANALOGUE
Descriptor:Methyltransf_2 domain-containing protein, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, 1,2-ETHANEDIOL, ...
Authors:Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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THE CRYSTAL STRUCTURE OF PDXI COMPLEX WITH THE ALDER-ENE ADDUCT
Descriptor:Methyltransf_2 domain-containing protein, 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER
Authors:Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQO
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THE STRUCTURE OF HPII IN COMPLEX WITH ITS SUBSTRATE ANALOGUE
Descriptor:HpiI, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, IMIDAZOLE, ...
Authors:Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQP
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THE STRUCTURE OF HPII
Descriptor:HpiI, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
1J3F
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CRYSTAL STRUCTURE OF AN ARTIFICIAL METALLOPROTEIN:CR(III)(3,3'-ME2-SALOPHEN)/APO-A71G MYOGLOBIN
Descriptor:Myoglobin, CHROMIUM ION, PHOSPHATE ION, ...
Authors:Koshiyama, T., Kono, M., Ohashi, M., Ueno, T., Suzuki, A., Yamane, T., Watanabe, Y.
Deposit date:2003-01-24
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts
J.Am.Chem.Soc., 127, 2005
1UFJ
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CRYSTAL STRUCTURE OF AN ARTIFICIAL METALLOPROTEIN:FE(III)(3,3'-ME2-SALOPHEN)/APO-A71G MYOGLOBIN
Descriptor:MYOGLOBIN, FE (III) ION, PHOSPHATE ION, ...
Authors:Ueno, T., Ohashi, M., Kono, M., Kondo, K., Suzuki, A., Yamane, T., Watanabe, Y.
Deposit date:2003-05-30
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) by Mutation of Ala71 to Gly in Apo-Myoglobin
Inorg.Chem., 43, 2004
1UFP
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CRYSTAL STRUCTURE OF AN ARTIFICIAL METALLOPROTEIN:FE(III)(3,3'-ME2-SALOPHEN)/APO-WILD TYPE MYOGLOBIN
Descriptor:Myoglobin, PHOSPHATE ION
Authors:Ueno, T., Ohashi, M., Kono, M., Kondo, K., Suzuki, A., Yamane, T., Watanabe, Y.
Deposit date:2003-06-04
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) by Mutation of Ala71 to Gly in Apo-Myoglobin
Inorg.Chem., 43, 2004
1V9Q
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CRYSTAL STRUCTURE OF AN ARTIFICIAL METALLOPROTEIN:MN(III)(3,3'-ME2-SALOPHEN)/APO-A71G MYOGLOBIN
Descriptor:Myoglobin, PHOSPHATE ION, 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', ...
Authors:Ueno, T., Koshiyama, T., Kono, M., Kondo, K., Ohashi, M., Suzuki, A., Yamane, T., Watanabe, Y.
Deposit date:2004-01-29
Release date:2005-05-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts
J.Am.Chem.Soc., 127, 2005
3WMH
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMMA SELECTIVE SYNTHETIC PARTIAL AGONIST MEKT75
Descriptor:Peroxisome proliferator-activated receptor gamma, N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
Authors:Oyama, T., Ohashi, M., Miyachi, H., Kusunoki, M.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human PPRR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
TO BE PUBLISHED
3VSP
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A GAMMA SELECTIVE AGONIST MEKT28
Descriptor:Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid
Authors:Oyama, T., Waku, T., Ohashi, M., Morikawa, K., Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
To be Published
6IX3
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THE STRUCTURE OF LEPI COMPLEX WITH SAM
Descriptor:O-methyltransferase lepI, S-ADENOSYLMETHIONINE, CHLORIDE ION
Authors:Cai, Y., Ohashi, M., Hai, Y., Tang, Y., Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX5
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THE STRUCTURE OF LEPI COMPLEX WITH SAM AND ITS SUBSTRATE ANALOGUE
Descriptor:O-methyltransferase lepI, S-ADENOSYLMETHIONINE, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, ...
Authors:Cai, Y., Ohashi, M., Hai, Y., Tang, Y., Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX7
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THE STRUCTURE OF LEPI C52A IN COMPLEX WITH SAH AND SUBSTRATE ANALOGUE
Descriptor:O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, ...
Authors:Cai, Y., Ohashi, M., Hai, Y., Tang, Y., Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX8
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THE STRUCTURE OF LEPI C52A IN COMPLEX WITH SAM AND ITS SUBSTRATE ANALOGUE
Descriptor:O-methyltransferase lepI, S-ADENOSYLMETHIONINE, CHLORIDE ION, ...
Authors:Cai, Y., Ohashi, M., Hai, Y., Tang, Y., Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.659 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX9
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THE STRUCTURE OF LEPI C52A IN COMPLEX WITH SAM AND LEPORIN C
Descriptor:O-methyltransferase lepI, S-ADENOSYLMETHIONINE, SODIUM ION, ...
Authors:Cai, Y., Ohashi, M., Hai, Y., Tang, Y., Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
5KC1
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STRUCTURE OF THE C-TERMINAL DIMERIZATION DOMAIN OF ATG38
Descriptor:Autophagy-related protein 38, SODIUM ION, NITRATE ION, ...
Authors:Ohashi, Y., Soler, N., Garcia-Ortegon, M., Zhang, L., Perisic, O., Masson, G.R., Johnson, C.M., Williams, R.J.
Deposit date:2016-06-04
Release date:2016-10-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
5KC2
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NEGATIVE STAIN STRUCTURE OF VPS15/VPS34 COMPLEX
Descriptor:Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15
Authors:Kirsten, M.L., Zhang, L., Ohashi, Y., Perisic, O., Williams, R.L., Sachse, C.
Deposit date:2016-06-04
Release date:2016-10-05
Last modified:2019-11-13
Method:ELECTRON MICROSCOPY (28 Å)
Cite:Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
3VJH
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH JKPL35
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid
Authors:Tomioka, D., Kuwabara, N., Hashimoto, H., Sato, M., Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VJI
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HUMAN PPAR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH JKPL53
Descriptor:Peroxisome proliferator-activated receptor gamma, (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
Authors:Tomioka, D., Kuwabara, N., Hashimoto, H., Sato, M., Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VI8
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HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH A SYNTHETIC AGONIST APHM13
Descriptor:Peroxisome proliferator-activated receptor alpha, (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
Authors:Oyama, T., Miyachi, H., Morikawa, K.
Deposit date:2011-09-25
Release date:2012-08-29
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype
J.Med.Chem., 55, 2012
171916
PDB entries from 2020-12-02