2ZTV
 
 | | The binary complex of D-3-hydroxybutyrate dehydrogenase with NAD+ | | Descriptor: | D(-)-3-hydroxybutyrate dehydrogenase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2008-10-09 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor.
J.Biochem., 145, 2009
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2ZTL
 | | Closed conformation of D-3-hydroxybutyrate dehydrogenase complexed with NAD+ and L-3-hydroxybutyrate | | Descriptor: | (3S)-3-HYDROXYBUTANOIC ACID, D(-)-3-hydroxybutyrate dehydrogenase, GLYCEROL, ... | | Authors: | Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2008-10-07 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor.
J.Biochem., 145, 2009
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2ZTU
 | | T190A mutant of D-3-hydroxybutyrate dehydrogenase complexed with NAD+ | | Descriptor: | D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2008-10-09 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor.
J.Biochem., 145, 2009
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2ZTM
 | | T190S mutant of D-3-hydroxybutyrate dehydrogenase | | Descriptor: | (3S)-3-HYDROXYBUTANOIC ACID, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2008-10-07 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor.
J.Biochem., 145, 2009
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2RVP
 | | Solution structure of DNA Containing Metallo-Base-Pair | | Descriptor: | DNA (5'-D(*TP*AP*AP*TP*AP*TP*AP*CP*TP*TP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*AP*AP*CP*TP*AP*TP*AP*TP*TP*A)-3'), SILVER ION | | Authors: | Dairaku, T, Furuita, K, Sato, H, Sebera, J, Nakashima, K, Kondo, J, Yamanaka, D, Kondo, Y, Okamoto, I, Ono, A, Sychrovsky, V, Kojima, C, Tanaka, Y. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure Determination of an Ag(I) -Mediated Cytosine-Cytosine Base Pair within DNA Duplex in Solution with (1) H/(15) N/(109) Ag NMR Spectroscopy.
Chemistry, 22, 2016
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1F54
 | | SOLUTION STRUCTURE OF THE APO N-TERMINAL DOMAIN OF YEAST CALMODULIN | | Descriptor: | CALMODULIN | | Authors: | Ishida, H, Takahashi, K, Nakashima, K, Kumaki, Y, Nakata, M, Hikichi, K, Yazawa, M. | | Deposit date: | 2000-06-13 | | Release date: | 2003-07-15 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the N-terminal Domain of Yeast Calmodulin:
Ca2+-Dependent Conformational Change and Its Functional Implication
Biochemistry, 39, 2000
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1F55
 | | SOLUTION STRUCTURE OF THE CALCIUM BOUND N-TERMINAL DOMAIN OF YEAST CALMODULIN | | Descriptor: | CALCIUM ION, CALMODULIN | | Authors: | Ishida, H, Takahashi, K, Nakashima, K, Kumaki, Y, Nakata, M, Hikichi, K, Yazawa, M. | | Deposit date: | 2000-06-13 | | Release date: | 2003-07-15 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the N-terminal Domain of Yeast Calmodulin:
Ca2+-Dependent Conformational Change and Its Functional Implication
Biochemistry, 39, 2000
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1WDA
 | | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with benzoyl-L-arginine amide | | Descriptor: | CALCIUM ION, N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE, Protein-arginine deiminase type IV, ... | | Authors: | Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M. | | Deposit date: | 2004-05-12 | | Release date: | 2004-07-13 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for Ca(2+)-induced activation of human PAD4
Nat.Struct.Mol.Biol., 11, 2004
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1WD9
 | | Calcium bound form of human peptidylarginine deiminase type4 (PAD4) | | Descriptor: | CALCIUM ION, Protein-arginine deiminase type IV, SULFATE ION | | Authors: | Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M. | | Deposit date: | 2004-05-12 | | Release date: | 2004-07-13 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for Ca(2+)-induced activation of human PAD4
Nat.Struct.Mol.Biol., 11, 2004
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1WD8
 | | Calcium free form of human peptidylarginine deiminase type4 (PAD4) | | Descriptor: | Protein-arginine deiminase type IV | | Authors: | Arita, K, Hashimoto, H, Shimizu, T, Nakashima, K, Yamada, M, Sato, M. | | Deposit date: | 2004-05-12 | | Release date: | 2004-07-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for Ca(2+)-induced activation of human PAD4
Nat.Struct.Mol.Biol., 11, 2004
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1LKJ
 | | NMR Structure of Apo Calmodulin from Yeast Saccharomyces cerevisiae | | Descriptor: | Calmodulin | | Authors: | Ishida, H, Nakashima, K, Kumaki, Y, Nakata, M, Hikichi, K, Yazawa, M. | | Deposit date: | 2002-04-25 | | Release date: | 2003-04-29 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of apocalmodulin from Saccharomyces cerevisiae implies a mechanism for its unique Ca2+ binding property.
Biochemistry, 41, 2002
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1WMB
 | | Crystal structure of NAD dependent D-3-hydroxybutylate dehydrogenase | | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION | | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | | Deposit date: | 2004-07-06 | | Release date: | 2005-09-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
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1X1T
 | | Crystal Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi Complexed with NAD+ | | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | | Deposit date: | 2005-04-13 | | Release date: | 2006-01-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
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2DQM
 | | Crystal Structure of Aminopeptidase N complexed with bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Aminopeptidase N, SULFATE ION, ... | | Authors: | Onohara, Y, Nakajima, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2006-05-29 | | Release date: | 2006-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Aminopeptidase N (proteobacteria alanyl aminopeptidase) from Escherichia coli: Crystal structure and conformational change of the methionine 260 residue involved in substrate recognition
J.Biol.Chem., 281, 2006
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2DQ6
 | | Crystal Structure of Aminopeptidase N from Escherichia coli | | Descriptor: | Aminopeptidase N, SULFATE ION, ZINC ION | | Authors: | Nakajima, Y, Onohara, Y, Ito, K, Yoshimoto, T. | | Deposit date: | 2006-05-22 | | Release date: | 2006-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Aminopeptidase N (proteobacteria alanyl aminopeptidase) from Escherichia coli: Crystal structure and conformational change of the methionine 260 residue involved in substrate recognition
J.Biol.Chem., 281, 2006
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1X2E
 | | The crystal structure of prolyl aminopeptidase complexed with Ala-TBODA | | Descriptor: | (2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE, Proline iminopeptidase | | Authors: | Nakajima, Y, Ito, K, Sakata, M, Xu, Y, Matsubara, F, Hatakeyama, S, Yoshimoto, T. | | Deposit date: | 2005-04-22 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unusual extra space at the active site and high activity for acetylated hydroxyproline of prolyl aminopeptidase from Serratia marcescens
J.Bacteriol., 188, 2006
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1X2B
 | | The crystal structure of prolyl aminopeptidase complexed with Sar-TBODA | | Descriptor: | 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE, Proline iminopeptidase | | Authors: | Nakajima, Y, Ito, K, Sakata, M, Xu, Y, Matsubara, F, Hatakeyama, S, Yoshimoto, T. | | Deposit date: | 2005-04-22 | | Release date: | 2006-05-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unusual extra space at the active site and high activity for acetylated hydroxyproline of prolyl aminopeptidase from Serratia marcescens
J.Bacteriol., 188, 2006
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5AXQ
 | | Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | | Descriptor: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ... | | Authors: | Oki, H, Zama, Y. | | Deposit date: | 2015-07-31 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
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5B4L
 | | Crystal structure of the catalytic domain of human PDE10A complexed with 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | Descriptor: | 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Oki, H, Zama, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
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5AXP
 | | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | Descriptor: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Oki, H, Zama, Y. | | Deposit date: | 2015-07-31 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
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5B4K
 | | Crystal structure of the catalytic domain of human PDE10A complexed with N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine | | Descriptor: | MAGNESIUM ION, N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine, ZINC ION, ... | | Authors: | Oki, H, Zama, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
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3WYM
 | | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | | Descriptor: | 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Oki, H, Hayano, Y. | | Deposit date: | 2014-09-01 | | Release date: | 2014-11-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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3WYK
 | | Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Oki, H, Hayano, Y. | | Deposit date: | 2014-09-01 | | Release date: | 2014-11-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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3WYL
 | | Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | | Descriptor: | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Oki, H, Hayano, Y. | | Deposit date: | 2014-09-01 | | Release date: | 2014-11-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
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5VP0
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | Descriptor: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
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