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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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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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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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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
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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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
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
分子名称: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
著者Chmait, S.
登録日2014-06-09
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
4TPM
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Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
分子名称: GLYCEROL, SULFATE ION, ZINC ION, ...
著者Chmait, S.
登録日2014-06-08
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
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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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
8E7A
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BU of 8e7a by Molmil
Crystal structure of the p53 (Y107H) core domain orthorhombic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
8E7B
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BU of 8e7b by Molmil
Crystal structure of the p53 (Y107H) core domain monoclinic P form
分子名称: Cellular tumor antigen p53, ZINC ION
著者Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J.
登録日2022-08-23
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
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
5WEH
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BU of 5weh by Molmil
Cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Aa3-type cytochrome c oxidase subunit IV, CALCIUM ION, ...
著者Liu, J, Ferguson-Miller, F, Ling, Q, Hiser, C.
登録日2017-07-10
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Role of conformational change and K-path ligands in controlling cytochrome c oxidase activity.
Biochem. Soc. Trans., 45, 2017
1TYW
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BU of 1tyw by Molmil
STRUCTURE OF TAILSPIKE-PROTEIN
分子名称: TAILSPIKE PROTEIN, alpha-D-galactopyranose-(1-2)-[alpha-D-Tyvelopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-[alpha-D-glucopyranose-(1-4)]alpha-D-galactopyranose-(1-2)-[alpha-D-Tyvelopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Steinbacher, S, Huber, R.
登録日1996-07-26
公開日1997-07-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of phage P22 tailspike protein complexed with Salmonella sp. O-antigen receptors.
Proc.Natl.Acad.Sci.USA, 93, 1996
1TYX
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TITLE OF TAILSPIKE-PROTEIN
分子名称: TAILSPIKE PROTEIN, alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Steinbacher, S, Huber, R.
登録日1996-07-26
公開日1997-07-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of phage P22 tailspike protein complexed with Salmonella sp. O-antigen receptors.
Proc.Natl.Acad.Sci.USA, 93, 1996
3KFO
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BU of 3kfo by Molmil
Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae
分子名称: GLYCEROL, Nucleoporin NUP133
著者Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-27
公開日2010-01-26
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex.
Proteins, 79, 2011
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
分子名称: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
著者Pliotas, C, Naismith, J.H.
登録日2017-03-03
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
1TYU
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BU of 1tyu by Molmil
STRUCTURE OF TAILSPIKE-PROTEIN
分子名称: TAILSPIKE PROTEIN, alpha-D-galactopyranose-(1-2)-[alpha-D-Tyvelopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Tyvelopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Steinbacher, S, Huber, R.
登録日1996-07-26
公開日1997-07-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of phage P22 tailspike protein complexed with Salmonella sp. O-antigen receptors.
Proc.Natl.Acad.Sci.USA, 93, 1996
1TYV
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BU of 1tyv by Molmil
STRUCTURE OF TAILSPIKE-PROTEIN
分子名称: TAILSPIKE PROTEIN
著者Steinbacher, S, Huber, R.
登録日1996-07-26
公開日1997-07-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of phage P22 tailspike protein complexed with Salmonella sp. O-antigen receptors.
Proc.Natl.Acad.Sci.USA, 93, 1996
3TH0
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BU of 3th0 by Molmil
P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide
分子名称: Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
登録日2011-08-18
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers.
Glycobiology, 23, 2013
5VT2
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BU of 5vt2 by Molmil
Crystal structure of growth differentiation factor
分子名称: 1,2-ETHANEDIOL, Growth/differentiation factor 15
著者Min, X, Wang, Z.
登録日2017-05-15
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
5LYE
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Re-refined structure of the bacteriophage T4 short tail fibre PDB entry 1H6W containing 71 additionally identified residues
分子名称: CHLORIDE ION, Gp12, SULFATE ION
著者van Raaij, M.J, Taylor, N.M.I, Leiman, P.G.
登録日2016-09-27
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contractile injection systems of bacteriophages and related systems.
Mol. Microbiol., 108, 2018
4P0N
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Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
分子名称: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
著者Chmait, S.
登録日2014-02-21
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4P1R
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Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
分子名称: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
著者Chmait, S.
登録日2014-02-27
公開日2014-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014

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