7D0N
 
 | | Crystal structure of mouse CRY2 apo form | | Descriptor: | Cryptochrome-2 | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2020-09-11 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7DLI
 | | Crystal structure of mouse CRY1 in complex with KL001 compound | | Descriptor: | 1,2-ETHANEDIOL, Cryptochrome-1, N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2020-11-27 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7D0M
 | | Crystal structure of mouse CRY1 with bound cryoprotectant | | Descriptor: | Cryptochrome-1, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2020-09-11 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1GDV
 | | CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM RED ALGA PORPHYRA YEZOENSIS AT 1.57 A RESOLUTION | | Descriptor: | CYTOCHROME C6, HEME C | | Authors: | Yamada, S, Park, S.-Y, Shimizu, H, Shiro, Y, Oku, T. | | Deposit date: | 2000-10-06 | | Release date: | 2001-04-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure of cytochrome c6 from the red alga Porphyra yezoensis at 1. 57 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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3VYD
 | | Human renin in complex with inhibitor 6 | | Descriptor: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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1WVP
 | | Structure of chemically modified myoglobin with distal N-tetrazolyl-histidine E7(64) | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Makino, M, Sugimoto, H, Kamiya, N, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-12-23 | | Release date: | 2005-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heme environmental structure of a novel artificial myoglobin with a closed heme pocket: site-specific chemical modification producing distal N-tetrazolylhistidine E7 by cyanogen bromide and azide ion
J.Am.Chem.Soc., 113, 1991
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7WVA
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5AZZ
 | | Crystal structure of seleno-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Watanabe, S, Okumura, M, Arai, K, Takei, T, Asahina, Y, Hojo, H, Iwaoka, M, Inaba, K. | | Deposit date: | 2015-10-23 | | Release date: | 2017-05-03 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Preparation of Selenoinsulin as a Long-Lasting Insulin Analogue.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3VSW
 | | Human renin in complex with compound 8 | | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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7D1C
 | | Crystal structure of mouse Cryptochrome 1 in complex with compound TH303 | | Descriptor: | Cryptochrome-1, N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2020-09-14 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
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7D19
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7XY8
 | | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | | Descriptor: | Isoform 2 of Basigin, heavy chain, light chain | | Authors: | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
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7EJ9
 | | Alternative crystal structure of mouse Cryptochrome 2 in complex with TH301 compound | | Descriptor: | 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-04-01 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6KX8
 | | Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound | | Descriptor: | 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2 | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
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6KX7
 | | Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound | | Descriptor: | 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-1 | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
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6KX5
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6KX6
 | | Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound | | Descriptor: | Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide | | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
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6KX4
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5OLJ
 | | Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 | | Descriptor: | Dipeptidyl peptidase IV, GLYCEROL | | Authors: | Fulop, V. | | Deposit date: | 2017-07-27 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 and structure-activity relationships based on inhibitor profiling.
Eur J Med Chem, 139, 2017
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5SJQ
 | | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2,3-dimethylquinoxaline | | Descriptor: | 6-chloro-2,3-dimethylquinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Kumagai, Y, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SHE
 | | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethylquinoxalin-6-amine | | Descriptor: | 2,3-dimethylquinoxalin-6-amine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Kumagai, Y, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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6IZP
 | | Solution structure of the complex of naphthyridine carbamate dimer and an RNA with UGGAA-UGGAA pentad | | Descriptor: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, RNA (29-MER) | | Authors: | Nagano, K, Shibata, T, Nakatani, K, Kawai, G. | | Deposit date: | 2018-12-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model
Nat Commun, 12, 2021
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7V8Y
 | | Crystal structure of mouse CRY2 in complex with SHP1703 compound | | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8Z
 | | Crystal structure of mouse CRY2 in complex with SHP656 compound | | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5XWM
 | | human ERp44 zinc-bound form | | Descriptor: | CHLORIDE ION, Endoplasmic reticulum resident protein 44, ZINC ION | | Authors: | Watanabe, S, Harayama, M, Inaba, K. | | Deposit date: | 2017-06-30 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Zinc regulates ERp44-dependent protein quality control in the early secretory pathway.
Nat Commun, 10, 2019
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