5M7R
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![BU of 5m7r by Molmil](/molmil-images/mine/5m7r) | Structure of human O-GlcNAc hydrolase | 分子名称: | Protein O-GlcNAcase | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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6ZST
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![BU of 6zst by Molmil](/molmil-images/mine/6zst) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-16 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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5M9N
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![BU of 5m9n by Molmil](/molmil-images/mine/5m9n) | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide | 分子名称: | 1,2-ETHANEDIOL, E2F peptide, N3, ... | 著者 | Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-11-01 | 公開日 | 2016-11-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically
dimethylated E2F peptide To Be Published
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5M86
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![BU of 5m86 by Molmil](/molmil-images/mine/5m86) | Crystal Structure of the Thermoplasma acidophilum Protein Ta1207 | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Pathare, G.R, Nagy, I, Bracher, A. | 登録日 | 2016-10-28 | 公開日 | 2017-06-14 | 最終更新日 | 2017-06-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the Thermoplasma acidophilum protein Ta1207. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6S39
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![BU of 6s39 by Molmil](/molmil-images/mine/6s39) | Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-24 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RJW
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6S3E
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![BU of 6s3e by Molmil](/molmil-images/mine/6s3e) | Crystal structure of helicase Pif1 from Thermus oshimai in apo form | 分子名称: | PIF1 helicase | 著者 | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | 登録日 | 2019-06-25 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.787 Å) | 主引用文献 | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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6RK7
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![BU of 6rk7 by Molmil](/molmil-images/mine/6rk7) | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | 分子名称: | CHLORIDE ION, Methionine adenosyltransferase, S-ADENOSYLMETHIONINE | 著者 | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | 登録日 | 2019-04-30 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. J.Mol.Biol., 431, 2019
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5MBX
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![BU of 5mbx by Molmil](/molmil-images/mine/5mbx) | Crystal structure of reduced murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase, ... | 著者 | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | 登録日 | 2016-11-09 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
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5MC8
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![BU of 5mc8 by Molmil](/molmil-images/mine/5mc8) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2016-11-09 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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5MC7
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6ZP3
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![BU of 6zp3 by Molmil](/molmil-images/mine/6zp3) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-08 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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5MCF
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![BU of 5mcf by Molmil](/molmil-images/mine/5mcf) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 7.59 MGy | 分子名称: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | 著者 | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | 登録日 | 2016-11-09 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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5MCC
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![BU of 5mcc by Molmil](/molmil-images/mine/5mcc) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 1.11 MGy | 分子名称: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | 著者 | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | 登録日 | 2016-11-09 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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7A74
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![BU of 7a74 by Molmil](/molmil-images/mine/7a74) | Structure of G132N BlaC from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | 著者 | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | 登録日 | 2020-08-27 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics. Antimicrob.Agents Chemother., 65, 2021
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6RO9
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![BU of 6ro9 by Molmil](/molmil-images/mine/6ro9) | Human spectrin SH3 domain D48G, E7V, K60V | 分子名称: | Spectrin alpha, non-erythrocytic 1 | 著者 | Reverter, D, Navarro, S, Ventura, S. | 登録日 | 2019-05-10 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | 主引用文献 | Human spectrin SH3 domain D48G, E7V, K60V To Be Published
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6ZLP
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![BU of 6zlp by Molmil](/molmil-images/mine/6zlp) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-06-30 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6S51
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![BU of 6s51 by Molmil](/molmil-images/mine/6s51) | The crystal structure of glycogen phosphorylase in complex with 10 | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2019-06-29 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6RF4
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![BU of 6rf4 by Molmil](/molmil-images/mine/6rf4) | Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | 著者 | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | 登録日 | 2019-04-12 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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5M7T
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![BU of 5m7t by Molmil](/molmil-images/mine/5m7t) | Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor | 分子名称: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, Protein O-GlcNAcase | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2017-03-29 | 最終更新日 | 2017-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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6RF3
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![BU of 6rf3 by Molmil](/molmil-images/mine/6rf3) | Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, SODIUM ION, ... | 著者 | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | 登録日 | 2019-04-12 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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6ZTD
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6ZMQ
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![BU of 6zmq by Molmil](/molmil-images/mine/6zmq) | Cytochrome c Heme Lyase CcmF | 分子名称: | Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ... | 著者 | Brausemann, A, Einsle, O. | 登録日 | 2020-07-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Architecture of the membrane-bound cytochrome c heme lyase CcmF. Nat.Chem.Biol., 17, 2021
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6RR8
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![BU of 6rr8 by Molmil](/molmil-images/mine/6rr8) | Structure of 100% reduced KpDyP (final wedges) | 分子名称: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | 著者 | Pfanzagl, V, Beale, J, Hofbauer, S. | 登録日 | 2019-05-17 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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5MAR
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![BU of 5mar by Molmil](/molmil-images/mine/5mar) | Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose. | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol, ACETATE ION, ... | 著者 | Moniot, S, Steegborn, C. | 登録日 | 2016-11-04 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity. J. Med. Chem., 60, 2017
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