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7D0N
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BU of 7d0n by Molmil
Crystal structure of mouse CRY2 apo form
分子名称: Cryptochrome-2
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2020-09-11
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
7DLI
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BU of 7dli by Molmil
Crystal structure of mouse CRY1 in complex with KL001 compound
分子名称: 1,2-ETHANEDIOL, Cryptochrome-1, N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2020-11-27
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7D0M
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BU of 7d0m by Molmil
Crystal structure of mouse CRY1 with bound cryoprotectant
分子名称: Cryptochrome-1, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2020-09-11
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
1GDV
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BU of 1gdv by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM RED ALGA PORPHYRA YEZOENSIS AT 1.57 A RESOLUTION
分子名称: CYTOCHROME C6, HEME C
著者Yamada, S, Park, S.-Y, Shimizu, H, Shiro, Y, Oku, T.
登録日2000-10-06
公開日2001-04-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure of cytochrome c6 from the red alga Porphyra yezoensis at 1. 57 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
3VYD
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BU of 3vyd by Molmil
Human renin in complex with inhibitor 6
分子名称: (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
著者Takahashi, M, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献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
1WVP
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BU of 1wvp by Molmil
Structure of chemically modified myoglobin with distal N-tetrazolyl-histidine E7(64)
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Makino, M, Sugimoto, H, Kamiya, N, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-12-23
公開日2005-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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
7WVA
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BU of 7wva by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with TH401 compound
分子名称: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide, Cryptochrome-1
著者Miller, S.A, Hirota, T.
登録日2022-02-10
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A methylbenzimidazole derivative regulates mammalian circadian rhythms by targeting Cryptochrome proteins.
F1000Res, 11, 2022
5AZZ
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BU of 5azz by Molmil
Crystal structure of seleno-insulin
分子名称: Insulin A chain, Insulin B chain
著者Watanabe, S, Okumura, M, Arai, K, Takei, T, Asahina, Y, Hojo, H, Iwaoka, M, Inaba, K.
登録日2015-10-23
公開日2017-05-03
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Preparation of Selenoinsulin as a Long-Lasting Insulin Analogue.
Angew. Chem. Int. Ed. Engl., 56, 2017
3VSW
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BU of 3vsw by Molmil
Human renin in complex with compound 8
分子名称: (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
著者Takahashi, M, Hanzawa, H.
登録日2012-05-11
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
7D1C
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BU of 7d1c by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH303
分子名称: Cryptochrome-1, N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
著者Miller, S.A, Hirota, T.
登録日2020-09-14
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
7D19
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BU of 7d19 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH129
分子名称: Cryptochrome-1, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
著者Miller, S.A, Hirota, T.
登録日2020-09-14
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
7XY8
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BU of 7xy8 by Molmil
Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN)
分子名称: Isoform 2 of Basigin, heavy chain, light chain
著者Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K.
登録日2022-06-01
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
7EJ9
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BU of 7ej9 by Molmil
Alternative crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 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
著者Miller, S.A, Hirota, T.
登録日2021-04-01
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
6KX8
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BU of 6kx8 by Molmil
Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 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
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX7
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BU of 6kx7 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
分子名称: 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
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX5
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BU of 6kx5 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound
分子名称: 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide, Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
分子名称: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX4
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BU of 6kx4 by Molmil
Crystal structure of mouse Cryptochrome 1 apo form
分子名称: Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
5OLJ
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BU of 5olj by Molmil
Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4
分子名称: Dipeptidyl peptidase IV, GLYCEROL
著者Fulop, V.
登録日2017-07-27
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4 and structure-activity relationships based on inhibitor profiling.
Eur J Med Chem, 139, 2017
5SJQ
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BU of 5sjq by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2,3-dimethylquinoxaline
分子名称: 6-chloro-2,3-dimethylquinoxaline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Kumagai, Y, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHE
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BU of 5she by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethylquinoxalin-6-amine
分子名称: 2,3-dimethylquinoxalin-6-amine, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Kumagai, Y, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
6IZP
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BU of 6izp by Molmil
Solution structure of the complex of naphthyridine carbamate dimer and an RNA with UGGAA-UGGAA pentad
分子名称: 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, RNA (29-MER)
著者Nagano, K, Shibata, T, Nakatani, K, Kawai, G.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model
Nat Commun, 12, 2021
7V8Y
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BU of 7v8y by Molmil
Crystal structure of mouse CRY2 in complex with SHP1703 compound
分子名称: 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2
著者Miller, S.A, Hirota, T.
登録日2021-08-23
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8Z
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BU of 7v8z by Molmil
Crystal structure of mouse CRY2 in complex with SHP656 compound
分子名称: 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2
著者Miller, S.A, Hirota, T.
登録日2021-08-23
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
5XWM
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BU of 5xwm by Molmil
human ERp44 zinc-bound form
分子名称: CHLORIDE ION, Endoplasmic reticulum resident protein 44, ZINC ION
著者Watanabe, S, Harayama, M, Inaba, K.
登録日2017-06-30
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Zinc regulates ERp44-dependent protein quality control in the early secretory pathway.
Nat Commun, 10, 2019

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