3RXE
| Crystal structure of Trypsin complexed with benzamide | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXR
| Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXS
| Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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6A6N
| Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter CmABCB1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ... | Authors: | Kato, H, Nakatsu, T, Kodan, A. | Deposit date: | 2018-06-28 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1. Nat Commun, 10, 2019
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5AYG
| Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | Descriptor: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | Authors: | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | Deposit date: | 2015-08-20 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor Acs Med.Chem.Lett., 7, 2016
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7VR5
| Crystal structure of CmABCB1 W114Y/W161Y/W363Y/W364Y/M391W (4WY/M391W) mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DECYL-BETA-D-MALTOPYRANOSIDE, Probable ATP-dependent transporter ycf16 | Authors: | Inoue, Y, Ogawa, H, Kato, H. | Deposit date: | 2021-10-21 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based alteration of tryptophan residues of the multidrug transporter CmABCB1 to assess substrate binding using fluorescence spectroscopy. Protein Sci., 31, 2022
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6ADV
| Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | Authors: | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | Deposit date: | 2018-08-02 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase. J. Org. Chem., 84, 2019
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5XFC
| Serial femtosecond X-ray structure of a stem domain of human O-mannose beta-1,2-N-acetylglucosaminyltransferase solved by Se-SAD using XFEL (refined against 13,000 patterns) | Descriptor: | 4-nitrophenyl beta-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1 | Authors: | Kuwabara, N, Fumiaki, Y, Kato, R, Manya, H. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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5XFD
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3A2W
| Peroxiredoxin (C50S) from Aeropytum pernix K1 (peroxide-bound form) | Descriptor: | GLYCEROL, PEROXIDE ION, Probable peroxiredoxin | Authors: | Nakamura, T, Kado, Y, Yamaguchi, F, Matsumura, H, Ishikawa, K, Inoue, T. | Deposit date: | 2009-06-04 | Release date: | 2009-10-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide J.Biochem., 147, 2010
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3A2V
| Peroxiredoxin (C207S) from Aeropyrum pernix K1 complexed with hydrogen peroxide | Descriptor: | PEROXIDE ION, Probable peroxiredoxin | Authors: | Nakamura, T, Kado, Y, Yamaguchi, F, Ishikawa, K, Matsumura, H, Inoue, T. | Deposit date: | 2009-06-04 | Release date: | 2009-10-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide J.Biochem., 147, 2010
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3A2X
| Peroxiredoxin (C50S) from Aeropyrum pernix K1 (acetate-bound form) | Descriptor: | ACETATE ION, Probable peroxiredoxin | Authors: | Nakamura, T, Kado, Y, Yamaguchi, F, Matsumura, H, Ishikawa, K, Inoue, T. | Deposit date: | 2009-06-04 | Release date: | 2009-10-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide J.Biochem., 147, 2010
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5AVI
| Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4 | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate | Authors: | Matsui, Y, Hanzawa, H, Tamaki, K. | Deposit date: | 2015-06-16 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists Bioorg.Med.Chem.Lett., 25, 2015
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5AVL
| Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b | Descriptor: | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha | Authors: | Matsui, Y, Hanzawa, H, Tamaki, K. | Deposit date: | 2015-06-17 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists Bioorg.Med.Chem.Lett., 25, 2015
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6A6M
| Crystal structure of an outward-open nucleotide-bound state of the eukaryotic ABC multidrug transporter CmABCB1 | Descriptor: | ATP-binding cassette, sub-family B, member 1, ... | Authors: | Kato, H, Nakatsu, T, Kodan, A. | Deposit date: | 2018-06-28 | Release date: | 2019-02-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1. Nat Commun, 10, 2019
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2ZCT
| Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate | Descriptor: | Probable peroxiredoxin | Authors: | Nakamura, T, Hagihara, Y, Abe, M, Inoue, T, Yamamoto, T, Matsumura, H. | Deposit date: | 2007-11-12 | Release date: | 2008-05-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate Proc.Natl.Acad.Sci.Usa, 105, 2008
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3ATK
| Crystal structure of trypsin complexed with cycloheptanamine | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATI
| Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATM
| Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATL
| Crystal structure of trypsin complexed with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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6JHC
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6KFD
| Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with iodoacetate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hydroxynitrile lyase, iodoacetic acid | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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6KFA
| Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with acetate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hydroxynitrile lyase | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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6KFC
| Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, Hydroxynitrile lyase, ... | Authors: | Motojima, F, Izumi, A, Asano, Y. | Deposit date: | 2019-07-07 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines. Febs J., 288, 2021
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6KFE
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