7V92
 
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7V91
 | | Crystal Structure of the Catalytic Domain of a Family GH19 Chitinase from Gazyumaru, Ficus microcarpa | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Kozome, D, Kubota, T, Ishikawa, K. | | Deposit date: | 2021-08-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Analysis and Construction of a Thermostable Antifungal Chitinase.
Appl.Environ.Microbiol., 88, 2022
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7MS7
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7MS5
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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7MS6
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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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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6A86
 | | Pholiota squarrosa lectin | | Descriptor: | (3R)-butane-1,3-diol, lectin | | Authors: | Yamasaki, K, Yamasaki, T, Kubota, T. | | Deposit date: | 2018-07-06 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for specific recognition of core fucosylation in N-glycans by Pholiota squarrosa lectin (PhoSL).
Glycobiology, 29, 2019
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6A87
 | | Pholiota squarrosa lectin (PhoSL) in complex with fucose(alpha1-6)GlcNAc | | Descriptor: | METHANETHIOL, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamasaki, K, Yamasaki, T, Kubota, T. | | Deposit date: | 2018-07-06 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural basis for specific recognition of core fucosylation in N-glycans by Pholiota squarrosa lectin (PhoSL).
Glycobiology, 29, 2019
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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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6LK4
 | | Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION | | Authors: | Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T. | | Deposit date: | 2019-12-18 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
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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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6LFF
 | | transcription factor SATB1 CUTr1 domain in complex with a phosphorothioate DNA | | Descriptor: | DNA (5'-D(*GP*(C7R)P*(PST)P*AP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*(AS)P*(PST)P*(AS)P*(PST)P*TP*AP*GP*C)-3'), DNA-binding protein SATB1 | | Authors: | Akutsu, Y, Kubota, T, Yamasaki, T, Yamasaki, K. | | Deposit date: | 2019-12-02 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Enhanced affinity of racemic phosphorothioate DNA with transcription factor SATB1 arising from diastereomer-specific hydrogen bonds and hydrophobic contacts.
Nucleic Acids Res., 48, 2020
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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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6LUE
 | | Crystal structure of mouse Cryptochrome 1 in complex with compound KL201 | | Descriptor: | 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide, Cryptochrome-1 | | Authors: | Miller, S, Aikawa, Y, Hirota, T. | | Deposit date: | 2020-01-27 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals.
Cell Chem Biol, 27, 2020
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5I5B
 | | quasi racemic structure of allo-Thr13-ShK and D-ShK | | Descriptor: | D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ... | | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5I5A
 | | quasi racemic structure of allo-Ile7-ShK and D-ShK | | Descriptor: | D-MALATE, D-ShK, GLYCEROL, ... | | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-14 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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