6IZN
 
 | | 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
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6IZM
 | | 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
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3P20
 | | Crystal structure of vanadate bound subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2010-10-01 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
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3I73
 | | Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2009-07-08 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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3I72
 | | Structural characterization for the nucleotide binding ability of subunit A with SO4 of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2009-07-07 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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3I4L
 | | Structural characterization for the nucleotide binding ability of subunit A with AMP-PNP of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2009-07-01 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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3ND9
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3ND8
 | | Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ... | | Authors: | Kumar, A, Gruber, G. | | Deposit date: | 2010-06-07 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
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2YVE
 | | Crystal structure of the methylene blue-bound form of the multi-drug binding transcriptional repressor CgmR | | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, CHLORIDE ION, GLYCEROL, ... | | Authors: | Itou, H, Shirakihara, Y, Tanaka, I. | | Deposit date: | 2007-04-12 | | Release date: | 2008-04-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of the Multidrug Binding Repressor Corynebacteriumglutamicum CgmR in Complex with Inducers and with an Operator
J.Mol.Biol., 403, 2010
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2YVH
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3QG1
 | | Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-24 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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3QJY
 | | Crystal structure of P-loop G234A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-31 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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3IKJ
 | | Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, V-type ATP synthase alpha chain | | Authors: | Kumar, A, Manimekali, M.S.S, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2009-08-06 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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2D6Y
 | | Crystal Structure of transcriptional factor SCO4008 from Streptomyces coelicolor A3(2) | | Descriptor: | L(+)-TARTARIC ACID, putative tetR family regulatory protein | | Authors: | Hayashi, T, Tanaka, Y, Sakai, N, Yao, M, Tamura, T, Tanaka, I. | | Deposit date: | 2005-11-15 | | Release date: | 2006-10-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | SCO4008, a Putative TetR Transcriptional Repressor from Streptomyces coelicolor A3(2), Regulates Transcription of sco4007 by Multidrug Recognition.
J.Mol.Biol., 425, 2013
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2DG6
 | | Crystal structure of the putative transcriptional regulator SCO5550 from Streptomyces coelicolor A3(2) | | Descriptor: | putative transcriptional regulator | | Authors: | Hayashi, T, Tanaka, Y, Sakai, N, Yao, M, Tamura, T, Tanaka, I. | | Deposit date: | 2006-03-08 | | Release date: | 2007-03-13 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and genomic DNA analysis of a putative transcription factor SCO5550 from Streptomyces coelicolor A3(2): regulating the expression of gene sco5551 as a transcriptional activator with a novel dimer shape
Biochem. Biophys. Res. Commun., 435, 2013
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3QIA
 | | Crystal structure of P-loop G237A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-26 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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2D5W
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5XCH
 | | Crystal structure of Wild type Vps29 complexed with Zn+2 from Entamoeba histolytica | | Descriptor: | Vacuolar protein sorting-associated protein 29, ZINC ION | | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
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5XCK
 | | Crystal structure of Vps29 double mutant (D62A/H86A) from Entamoeba histolytica | | Descriptor: | Vacuolar protein sorting-associated protein 29 | | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
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6KU3
 | | Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice | | Descriptor: | 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ... | | Authors: | Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M. | | Deposit date: | 2019-08-30 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
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6KUN
 | | Crystal structure of dioxygenase for auxin oxidation (DAO) in rice | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ... | | Authors: | Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M. | | Deposit date: | 2019-09-02 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
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5XCJ
 | | Crystal structure of Vps29 single mutant (D62A) from Entamoeba histolytica | | Descriptor: | Vacuolar protein sorting-associated protein 29 | | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
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5Z5S
 | | 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
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5XCE
 | | Crystal structure of Wild type Vps29 from Entamoeba histolytica | | Descriptor: | Vacuolar protein sorting-associated protein 29 | | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
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5Z6S
 | | 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
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