5L3F
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![BU of 5l3f by Molmil](/molmil-images/mine/5l3f) | LSD1-CoREST1 in complex with polymyxin B | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | 登録日 | 2016-04-10 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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6I2V
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![BU of 6i2v by Molmil](/molmil-images/mine/6i2v) | Pilotin from Vibrio vulnificus type 2 secretion system, EpsS. | 分子名称: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Howard, S.P, Estrozi, L, Bertrand, Q, Contreras-Martel, C, Strozen, T, Job, V, Martins, A, Fenel, D, Schoehn, G, Dessen, A. | 登録日 | 2018-11-02 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure and assembly of pilotin-dependent and -independent secretins of the type II secretion system. Plos Pathog., 15, 2019
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5HZC
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![BU of 5hzc by Molmil](/molmil-images/mine/5hzc) | Crystal structure of the complex PPARgamma/AL26-29 | 分子名称: | 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A. | 登録日 | 2016-02-02 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode. Sci Rep, 6, 2016
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6RHF
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![BU of 6rhf by Molmil](/molmil-images/mine/6rhf) | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A variant (CagFbFP) | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | 著者 | Nazarenko, V.V, Remeeva, A, Yudenko, A, Kovalev, K, Gordeliy, V, Gushchin, I. | 登録日 | 2019-04-19 | 公開日 | 2019-05-15 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies. Photochem. Photobiol. Sci., 18, 2019
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6UFI
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![BU of 6ufi by Molmil](/molmil-images/mine/6ufi) | W96Y Oxalate Decarboxylase (Bacillus subtilis) | 分子名称: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | 著者 | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | 登録日 | 2019-09-24 | 公開日 | 2020-09-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Oxalate decarboxylase uses electron hole hopping for catalysis. J.Biol.Chem., 297, 2021
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6U6A
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![BU of 6u6a by Molmil](/molmil-images/mine/6u6a) | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | 分子名称: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-08-29 | 公開日 | 2019-10-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
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6RJD
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![BU of 6rjd by Molmil](/molmil-images/mine/6rjd) | Cryo-EM structure of St1Cas9-sgRNA-tDNA59-ntPAM complex. | 分子名称: | Streptococcus Thermophilus 1 Cas9, ntPAM, sgRNA (78-MER), ... | 著者 | Goulet, A, Chaves-Sanjuan, A, Cambillau, C. | 登録日 | 2019-04-26 | 公開日 | 2019-10-02 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6. Mol.Cell, 76, 2019
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8H2I
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![BU of 8h2i by Molmil](/molmil-images/mine/8h2i) | Near-atomic structure of five-fold averaged PBCV-1 capsid | 分子名称: | MCPv1, MCPv2, MCPv3, ... | 著者 | Shao, Q, Agarkova, I.V, Noel, E.A, Dunigan, D.D, Liu, Y, Wang, A, Guo, M, Xie, L, Zhao, X, Rossmann, M.G, Van Etten, J.L, Klose, T, Fang, Q. | 登録日 | 2022-10-06 | 公開日 | 2022-11-16 | 最終更新日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Near-atomic, non-icosahedrally averaged structure of giant virus Paramecium bursaria chlorella virus 1. Nat Commun, 13, 2022
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5HWA
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![BU of 5hwa by Molmil](/molmil-images/mine/5hwa) | Crystal Structure of MH-K1 chitosanase in substrate-bound form | 分子名称: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CACODYLATE ION, ... | 著者 | Suzuki, M, Saito, A, Ando, A, Miki, K, Saito, J. | 登録日 | 2016-01-29 | 公開日 | 2017-02-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal structure of the GH-46 subclass III chitosanase from Bacillus circulans MH-K1 in complex with chitotetraose Biomed.Biochim.Acta, 1868, 2024
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4X91
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![BU of 4x91 by Molmil](/molmil-images/mine/4x91) | |
4X21
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![BU of 4x21 by Molmil](/molmil-images/mine/4x21) | The MAP kinase JNK3 as target for halogen bonding | 分子名称: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | 著者 | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | 登録日 | 2014-11-25 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137, 2015
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8C13
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![BU of 8c13 by Molmil](/molmil-images/mine/8c13) | Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48 | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-12-20 | 公開日 | 2022-12-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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4Q7N
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![BU of 4q7n by Molmil](/molmil-images/mine/4q7n) | Crystal structure of the complex of Buffalo Signalling protein SPB-40 with 4-N-trimethylaminobutyraldehyde at 1.79 Angstrom Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, N,N,N-trimethyl-4-oxobutan-1-aminium | 著者 | Chaudhary, A, Tyagi, T.K, Singh, A, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2014-04-25 | 公開日 | 2014-05-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Crystal structure of the complex of Buffalo Signalling protein SPB-40 with 4-N-trimethylaminobutyraldehyde at 1.79 Angstrom Resolution To be Published
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8H6S
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![BU of 8h6s by Molmil](/molmil-images/mine/8h6s) | Structure of acyltransferase VinK in complex with the loading acyl carrier protein of vicenistatin PKS | 分子名称: | MAGNESIUM ION, Malonyl-CoA-[acyl-carrier-protein] transacylase, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | 著者 | Kawada, K, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | 登録日 | 2022-10-18 | 公開日 | 2022-12-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis of Transient Interactions of Acyltransferase VinK with the Loading Acyl Carrier Protein of the Vicenistatin Modular Polyketide Synthase. Biochemistry, 62, 2023
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6L4Q
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![BU of 6l4q by Molmil](/molmil-images/mine/6l4q) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B | 分子名称: | (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase | 著者 | Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K. | 登録日 | 2019-10-19 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
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8HMS
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![BU of 8hms by Molmil](/molmil-images/mine/8hms) | Crystal Structure of PKM2 mutant C474S | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | 著者 | Upadhyay, S, Kumar, A, Patel, A.K. | 登録日 | 2022-12-05 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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6L3Y
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![BU of 6l3y by Molmil](/molmil-images/mine/6l3y) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C | 分子名称: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ... | 著者 | Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K. | 登録日 | 2019-10-15 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
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8HMQ
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![BU of 8hmq by Molmil](/molmil-images/mine/8hmq) | Crystal Structure of PKM2 mutant P403A | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | 著者 | Upadhyay, S, Kumar, A, Patel, A.K. | 登録日 | 2022-12-05 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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8BYK
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![BU of 8byk by Molmil](/molmil-images/mine/8byk) | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | 登録日 | 2022-12-13 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases. Front Microbiol, 13, 2022
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8HMR
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![BU of 8hmr by Molmil](/molmil-images/mine/8hmr) | Crystal Structure of PKM2 mutant L144P | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | 著者 | Upadhyay, S, Kumar, A, Patel, A.K. | 登録日 | 2022-12-05 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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5L3G
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![BU of 5l3g by Molmil](/molmil-images/mine/5l3g) | LSD1-CoREST1 in complex with polymyxin E (colistin) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | 著者 | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | 登録日 | 2016-04-10 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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8HMU
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![BU of 8hmu by Molmil](/molmil-images/mine/8hmu) | Crystal Structure of PKM2 mutant R516C | 分子名称: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | 著者 | Upadhyay, S, Kumar, A, Patel, A.K. | 登録日 | 2022-12-05 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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6ZQK
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![BU of 6zqk by Molmil](/molmil-images/mine/6zqk) | HER2-binding scFv-Fab fusion 841 | 分子名称: | 1,2-ETHANEDIOL, 841 heavy chain, 841 light chain | 著者 | Kast, F, Schwill, M, Stueber, J.C, Pfundstein, S, Nagy-Davidescu, G, Monne Rodriguez, J.M, Seehusen, F, Richter, C.P, Honegger, A, Hartmann, K.P, Weber, T.G, Kroener, F, Ernst, P, Piehler, J, Plueckthun, A. | 登録日 | 2020-07-09 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Engineering an anti-HER2 biparatopic antibody with a multimodal mechanism of action. Nat Commun, 12, 2021
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4WR7
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![BU of 4wr7 by Molmil](/molmil-images/mine/4wr7) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-10-23 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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6AHE
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![BU of 6ahe by Molmil](/molmil-images/mine/6ahe) | Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252 | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N. | 登録日 | 2018-08-17 | 公開日 | 2019-08-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies. Chem.Biol.Drug Des., 96, 2020
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