6IC6
 
 | | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | | 分子名称: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | 登録日 | 2018-12-02 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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8AWT
 | | IAPP S20G lag-phase fibril polymorph 2PF-P | | 分子名称: | Islet amyloid polypeptide | | 著者 | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | | 登録日 | 2022-08-30 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
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6XN1
 | | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | | 登録日 | 2020-07-02 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
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8S9E
 | | Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca | | 分子名称: | Disintegrin jarastatin | | 著者 | Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L. | | 登録日 | 2023-03-28 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
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8SR5
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4RXG
 | | Fructose-6-phosphate aldolase Q59E from E.coli | | 分子名称: | Fructose-6-phosphate aldolase 1, GLYCEROL, PENTAETHYLENE GLYCOL | | 著者 | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | | 登録日 | 2014-12-11 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | | 主引用文献 | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
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6QSW
 | | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | | 分子名称: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8V07
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8AZ6
 | | IAPP S20G plateau-phase fibril polymorph 4PF-LU | | 分子名称: | Islet amyloid polypeptide | | 著者 | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | | 登録日 | 2022-09-05 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
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8VL9
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | | 分子名称: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | 著者 | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | 登録日 | 2024-01-11 | | 公開日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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6QU9
 | | Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin | | 分子名称: | FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ... | | 著者 | Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A. | | 登録日 | 2019-02-26 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The structural basis for Z alpha 1 -antitrypsin polymerization in the liver.
Sci Adv, 6, 2020
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8AZ7
 | | IAPP S20G plateau-phase fibril polymorph 4PF-LJ | | 分子名称: | Islet amyloid polypeptide | | 著者 | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | | 登録日 | 2022-09-05 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
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5XIJ
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 9 | | 分子名称: | 3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Jain, V, Manickam, Y, Sharma, A. | | 登録日 | 2017-04-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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6V23
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8V05
 | | Crystal structure of mouse PLD3 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ... | | 著者 | Yuan, M, Zhu, X, Wilson, I.A. | | 登録日 | 2023-11-17 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4.
Structure, 32, 2024
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5JH0
 | | Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.18 Angstrom resolution | | 分子名称: | ARS-binding factor 2, mitochondrial, DNA (5'-D(*AP*AP*TP*AP*AP*TP*AP*AP*AP*TP*TP*AP*TP*AP*TP*AP*AP*TP*AP*TP*AP*A)-3'), ... | | 著者 | Chakraborty, A, Lyonnais, S, Sola, M. | | 登録日 | 2016-04-20 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
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6IEN
 | | Substrate/product bound Argininosuccinate lyase from Mycobacterium tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, ARGININE, ARGININOSUCCINATE, ... | | 著者 | Paul, A, Mishra, A, Surolia, A, Vijayan, M. | | 登録日 | 2018-09-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism.
IUBMB Life, 71, 2019
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8SOS
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8AFX
 | | Single particle structure of Atg18-WT | | 分子名称: | Autophagy-related protein 18 | | 著者 | Mann, D, Fromm, S, Martinez-Sanchez, A, Gopaldass, N, Mayer, A, Sachse, C. | | 登録日 | 2022-07-18 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Cryo-EM structures of Atg18 oligomers reveal a tilted structural scaffold for Atg2 at the isolation membrane
To Be Published
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6EUH
 | | The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION | | 著者 | Cartmell, A, Gilbert, H.J. | | 登録日 | 2017-10-30 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
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6QVY
 | | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes | | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION | | 著者 | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | | 登録日 | 2019-03-05 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | | 主引用文献 | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
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7NG7
 | | Src kinase bound to eCF506 trapped in inactive conformation | | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | | 著者 | Lietha, D, Unciti-Broceta, A. | | 登録日 | 2021-02-08 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
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5FZG
 | | Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | | 登録日 | 2016-03-14 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
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8V08
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8SPF
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ... | | 著者 | Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M. | | 登録日 | 2023-05-03 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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