5Y7O
 
 | | Crystal structure of folding sensor region of UGGT from Thermomyces dupontii | | Descriptor: | UGGT | | Authors: | Satoh, T, Song, C, Zhu, T, Toshimori, T, Murata, K, Hayashi, Y, Kamikubo, H, Uchihashi, T, Kato, K. | | Deposit date: | 2017-08-17 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
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2ZAN
 | | Crystal structure of mouse SKD1/VPS4B ATP-form | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Vacuolar protein sorting-associating protein 4B | | Authors: | Inoue, M, Kawasaki, M, Kamikubo, H, Kataoka, M, Kato, R, Yoshimori, T, Wakatsuki, S. | | Deposit date: | 2007-10-08 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Nucleotide-dependent conformational changes and assembly of the AAA ATPase SKD1/VPS4B
Traffic, 9, 2008
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2D02
 | | R52Q Mutant of Photoactive Yellow Protein, P65 Form | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Shimizu, N, Kamikubo, H, Yamazaki, Y, Imamoto, Y, Kataoka, M. | | Deposit date: | 2005-07-21 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The Crystal Structure of the R52Q Mutant Demonstrates a Role for R52 in Chromophore pK(a) Regulation in Photoactive Yellow Protein
Biochemistry, 45, 2006
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2D01
 | | Wild Type Photoactive Yellow Protein, P65 Form | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Shimizu, N, Kamikubo, H, Yamazaki, Y, Imamoto, Y, Kataoka, M. | | Deposit date: | 2005-07-21 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | The Crystal Structure of the R52Q Mutant Demonstrates a Role for R52 in Chromophore pK(a) Regulation in Photoactive Yellow Protein
Biochemistry, 45, 2006
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4QRY
 | | the ground state and the N intermediate of pharaonis halorhodopsin in complex with bromide ion | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, BROMIDE ION, Halorhodopsin, ... | | Authors: | Kouyama, T, Kawaguchi, H. | | Deposit date: | 2014-07-02 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin
Biophys.J., 108, 2015
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5ETZ
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5B0W
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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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5VP1
 | | 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)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from 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), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
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5GX9
 | | PYP mutant - E46Q | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Yonezawa, K. | | Deposit date: | 2016-09-16 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | NEUTRON DIFFRACTION (1.493 Å) | | Cite: | Neutron crystallography of photoactive yellow protein reveals unusual protonation state of Arg52 in the crystal
Sci Rep, 7, 2017
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1ETN
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1ETL
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1ETM
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3NBS
 | | Crystal structure of dimeric cytochrome c from horse heart | | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | | Deposit date: | 2010-06-04 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
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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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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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3NBT
 | | Crystal structure of trimeric cytochrome c from horse heart | | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | | Deposit date: | 2010-06-04 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
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6CKX
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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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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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5AUR
 | | Hydrogenobacter thermophilus cytochrome c552 dimer formed by domain swapping at N-terminal region | | Descriptor: | Cytochrome c-552, HEME C, IODIDE ION | | Authors: | Ren, C, Nagao, S, Yamanaka, M, Kamikubo, H, Komori, H, Shomura, Y, Higuchi, Y, Hirota, S. | | Deposit date: | 2015-06-08 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Oligomerization enhancement and two domain swapping mode detection for thermostable cytochrome c552via the elongation of the major hinge loop.
Mol Biosyst, 11, 2015
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5XA4
 | | Crystal Structure of HasAp with Fe-5,15-Diazaporphyrin | | Descriptor: | 10,20-Diphenyl-5,15-diaza-porphyrin containing FE, Heme acquisition protein HasAp | | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-03-10 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XKB
 | | Crystal Structure of HasAp with Fe-5,15-bisethynyl-10,20-diphenylporphyrin | | Descriptor: | 5,15-Bisethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-05-06 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XIC
 | | Crystal Structure of HasAp with Fe-5,10,15-triphenylporphyrin | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5,10,15-Triphenylporphyrin cpntaining FE, Heme acquisition protein HasAp | | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-04-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XIB
 | | Crystal Structure of HasAp with Fe-5,15-Diphenylporphyrin | | Descriptor: | 5,15-Diphenylporphyrin containing FE, Heme acquisition protein HasAp | | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-04-26 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
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