8PG0
 
 | | Human OATP1B3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ... | | 著者 | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | | 登録日 | 2023-06-17 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
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4LV4
 | | A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase | | 分子名称: | 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ... | | 著者 | Capodagli, G.C, Pegan, S.D. | | 登録日 | 2013-07-25 | | 公開日 | 2014-01-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
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8PHW
 | | Human OATP1B1 | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ... | | 著者 | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | | 登録日 | 2023-06-20 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
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8QC4
 | | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid | | 分子名称: | 5-(3-carboxyphenyl)furan-2-carboxylic acid, GLYCEROL, SULFATE ION, ... | | 著者 | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | 登録日 | 2023-08-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.578 Å) | | 主引用文献 | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
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4M12
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4M0Z
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4MI7
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8PTL
 | | human PHOX2B C-terminal domain including the polyA fragment at 278K | | 分子名称: | Paired mesoderm homeobox protein 2B | | 著者 | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | | 登録日 | 2023-07-14 | | 公開日 | 2024-03-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
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8PUI
 | | human PHOX2B C-terminal domain including the polyA fragment at 298K | | 分子名称: | Paired mesoderm homeobox protein 2B | | 著者 | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | | 登録日 | 2023-07-17 | | 公開日 | 2024-03-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
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4MQL
 | | Crystal structure of Antigen 85C-C209S mutant | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | | 著者 | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | | 登録日 | 2013-09-16 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
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4MTT
 | | Ni- and Zn-bound GloA2 at low resolution | | 分子名称: | CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ... | | 著者 | Bythell-Douglas, R, Bond, C.S. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
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4MYQ
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4MVT
 | | Crystal structure of SUMO E3 Ligase PIAS3 | | 分子名称: | CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2013-09-24 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of SUMO E3 Ligase PIAS3
to be published
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8OWV
 | | H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ... | | 著者 | Mikolajek, H, Naismith, J.H, Owens, R.J. | | 登録日 | 2023-04-28 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
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8R4I
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4MTQ
 | | Ni-bound GloA2 | | 分子名称: | Lactoylglutathione lyase, NICKEL (II) ION, SUCCINIC ACID | | 著者 | Bythell-Douglas, R, Bond, C.S. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
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4MQM
 | | Crystal structure of Antigen 85C in presence of Ebselen | | 分子名称: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C | | 著者 | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | | 登録日 | 2013-09-16 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.346 Å) | | 主引用文献 | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
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4MTR
 | | Zn-bound GloA2 | | 分子名称: | 1,2-ETHANEDIOL, Lactoylglutathione lyase, ZINC ION | | 著者 | Bythell-Douglas, R, Bond, C.S. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
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4LH6
 | | Crystal structure of a LigA inhibitor | | 分子名称: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide, ACETATE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ... | | 著者 | Benenato, K, Wang, H, Mcguire, H.M, Davis, H, Gao, N, Prince, D.B, Jahic, H, Stokes, S.S, Boriack-Sjodin, P.A. | | 登録日 | 2013-06-30 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
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4LPG
 | | Crystal structure of human FPPS in complex with CL01131 | | 分子名称: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | | 著者 | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2013-07-16 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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4LQY
 | | Crystal Structure of Human ENPP4 with AMP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Albright, R.A, Braddock, D.T. | | 登録日 | 2013-07-19 | | 公開日 | 2013-12-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
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8RNH
 | | Crystal structure of HLA B*18:01 in complex with EEIEITTHF, an 9-mer epitope from Influenza A | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Murdolo, L.D, Maddumaage, J, Gras, S. | | 登録日 | 2024-01-10 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
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8ROP
 | | Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Murdolo, L.D, Maddumage, J.C, Gras, S. | | 登録日 | 2024-01-12 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
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8ROO
 | | Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ... | | 著者 | Murdolo, L.D, Maddumage, J.C, Gras, S. | | 登録日 | 2024-01-11 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
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8OWT
 | | SARS-CoV-2 spike RBD with A8 and H3 nanobodies bound | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A8, ... | | 著者 | Mikolajek, H, Naismith, J.H, Owens, R.J. | | 登録日 | 2023-04-28 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
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