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4YT1
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BU of 4yt1 by Molmil
Human PPAR Gamma Ligand Binding Domain in complex with a Gammma Selective Synthetic Partial Agonist MEKT76
Descriptor: N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M.
Deposit date:2015-03-17
Release date:2016-03-02
Last modified:2023-11-08
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
3AN3
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BU of 3an3 by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S
Descriptor: (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, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Last modified:2023-11-01
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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BU of 3an4 by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R
Descriptor: (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, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K.
Deposit date:2010-08-30
Release date:2011-07-27
Last modified:2023-11-01
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
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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BU of 7bql by Molmil
The crystal structure of PdxI complex with the Alder-ene adduct
Descriptor: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQJ
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BU of 7bqj by Molmil
The structure of PdxI
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQO
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BU of 7bqo by Molmil
The structure of HpiI in complex with its substrate analogue
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQP
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BU of 7bqp by Molmil
The structure of HpiI
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
3VSO
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BU of 3vso by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21
Descriptor: (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Last modified:2023-11-08
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
1J3F
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BU of 1j3f by Molmil
Crystal Structure of an Artificial Metalloprotein:Cr(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin
Descriptor: 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', CHROMIUM ION, Myoglobin, ...
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:2023-10-25
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
1V9Q
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BU of 1v9q by Molmil
Crystal Structure of an Artificial Metalloprotein:Mn(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin
Descriptor: 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', MANGANESE (III) ION, Myoglobin, ...
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:2023-10-25
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
1UFP
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BU of 1ufp by Molmil
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:2023-11-08
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
1UFJ
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BU of 1ufj by Molmil
Crystal Structure of an Artificial Metalloprotein:Fe(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin
Descriptor: 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', FE (III) ION, MYOGLOBIN, ...
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:2023-10-25
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
6IX8
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BU of 6ix8 by Molmil
The structure of LepI C52A in complex with SAM and its substrate analogue
Descriptor: (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
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
6IX5
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BU of 6ix5 by Molmil
The structure of LepI complex with SAM and its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, 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:2023-11-22
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
6IX3
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BU of 6ix3 by Molmil
The structure of LepI complex with SAM
Descriptor: CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2024-03-27
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
6IX9
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BU of 6ix9 by Molmil
The structure of LepI C52A in complex with SAM and leporin C
Descriptor: (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ...
Authors:Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
Deposit date:2018-12-09
Release date:2019-07-17
Last modified:2023-11-22
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
6IX7
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BU of 6ix7 by Molmil
The structure of LepI C52A in complex with SAH and substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, 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:2023-11-22
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
3WMH
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BU of 3wmh by Molmil
Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
Descriptor: N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2023-11-08
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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BU of 3vsp by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
Descriptor: (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Last modified:2023-11-08
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
5KC1
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BU of 5kc1 by Molmil
Structure of the C-terminal dimerization domain of Atg38
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ...
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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BU of 5kc2 by Molmil
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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BU of 3vjh by Molmil
Human PPAR GAMMA ligand binding domain in complex with JKPL35
Descriptor: (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Last modified:2023-11-08
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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BU of 3vji by Molmil
Human PPAR gamma ligand binding domain in complex with JKPL53
Descriptor: (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, Peroxisome proliferator-activated receptor gamma
Authors:Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
Deposit date:2011-10-20
Release date:2012-08-29
Last modified:2023-11-08
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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BU of 3vi8 by Molmil
Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13
Descriptor: (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Oyama, T, Miyachi, H, Morikawa, K.
Deposit date:2011-09-25
Release date:2012-08-29
Last modified:2023-11-08
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

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