5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | 分子名称: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | 登録日 | 2016-11-25 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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5M7M
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![BU of 5m7m by Molmil](/molmil-images/mine/5m7m) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | 分子名称: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | 著者 | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | 登録日 | 2016-10-28 | 公開日 | 2017-08-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J. Med. Chem., 60, 2017
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6YJM
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![BU of 6yjm by Molmil](/molmil-images/mine/6yjm) | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | 分子名称: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | 著者 | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | 登録日 | 2020-04-03 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis. J.Med.Chem., 64, 2021
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6VWS
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![BU of 6vws by Molmil](/molmil-images/mine/6vws) | Hexamer of Helical HIV capsid by RASTR method | 分子名称: | HIV capsid protein | 著者 | Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P. | 登録日 | 2020-02-20 | 公開日 | 2020-10-21 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.08 Å) | 主引用文献 | Structural and mechanistic bases for a potent HIV-1 capsid inhibitor. Science, 370, 2020
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5Y9A
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![BU of 5y9a by Molmil](/molmil-images/mine/5y9a) | Crystal structure of the complex of peptidyl tRNA hydrolase with a phosphate ion at the substrate binding site and cytarabine at a new ligand binding site at 1.1 A resolution | 分子名称: | CYTARABINE, PHOSPHATE ION, Peptidyl-tRNA hydrolase | 著者 | Kaushik, S, Iqbal, N, Singh, N, Singh, P.K, Sharma, S, Singh, T.P. | 登録日 | 2017-08-23 | 公開日 | 2017-09-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Search of multiple hot spots on the surface of peptidyl-tRNA hydrolase: structural, binding and antibacterial studies. Biochem. J., 475, 2018
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6FQF
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![BU of 6fqf by Molmil](/molmil-images/mine/6fqf) | THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN | 分子名称: | Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Mazzarella, L, Merlino, A, Balasco, N, Balsamo, A, Vergara, A. | 登録日 | 2018-02-14 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of the ferric homotetrameric beta4human hemoglobin. Biophys. Chem., 240, 2018
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5Y48
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![BU of 5y48 by Molmil](/molmil-images/mine/5y48) | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4-dione at 1.70 Angstrom resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome inactivating protein, URACIL | 著者 | Singh, P.K, Pandey, S, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2017-08-01 | 公開日 | 2017-09-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with uracil and uridine. Proteins, 87, 2019
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6Y16
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![BU of 6y16 by Molmil](/molmil-images/mine/6y16) | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | 分子名称: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | 著者 | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | 登録日 | 2020-02-11 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank. Int.J.Biol.Macromol., 163, 2020
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5ZZV
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![BU of 5zzv by Molmil](/molmil-images/mine/5zzv) | Crystal structure of PEG-1500 crystallized Peptidyl-tRNA Hydrolase from Acinetobacter baumannii at 1.5 A resolution | 分子名称: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | 著者 | Bairagya, H.R, Sharma, P, Iqbal, N, Sharma, S, Singh, T.P. | 登録日 | 2018-06-04 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystal structure of PEG-1500 crystallized Peptidyl-tRNA Hydrolase from Acinetobacter baumannii at 1.5 A resolution To Be Published
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6AIE
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![BU of 6aie by Molmil](/molmil-images/mine/6aie) | Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution | 分子名称: | Putative methyltransferase | 著者 | Venkataraman, S, Dhankar, A, Sinha, K.M, Manivasakan, P, Iqbal, N, Singh, T.P, Prasad, B.V.L.S. | 登録日 | 2018-08-22 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution To Be Published
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5YIH
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![BU of 5yih by Molmil](/molmil-images/mine/5yih) | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii | 分子名称: | MAGNESIUM ION, Nucleoside diphosphate kinase | 著者 | Bairagya, H.R, Sikarwar, J, Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2017-10-04 | 公開日 | 2017-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii To Be Published
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6SVF
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![BU of 6svf by Molmil](/molmil-images/mine/6svf) | Crystal structure of the P235GK mutant of ArgBP from T. maritima | 分子名称: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | 著者 | Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A. | 登録日 | 2019-09-18 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima. Acta Crystallogr.,Sect.F, 75, 2019
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5YL8
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![BU of 5yl8 by Molmil](/molmil-images/mine/5yl8) | The crystal structure of inactive dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.79 A resolution | 分子名称: | Peptidyl-tRNA hydrolase, SODIUM ION | 著者 | Bairagya, H.R, Sharma, P, Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2017-10-17 | 公開日 | 2017-11-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | The crystal structure of inactive dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.79 A resolution To Be Published
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5YRR
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![BU of 5yrr by Molmil](/molmil-images/mine/5yrr) | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution | 分子名称: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | 著者 | Bairagya, H.R, Gupta, A, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2017-11-09 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution To Be Published
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6GPD
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![BU of 6gpd by Molmil](/molmil-images/mine/6gpd) | Crystal structure of the ligand-free form of domain 1 from TmArgBP | 分子名称: | Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, periplasmic amino acid-binding protein | 著者 | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | 登録日 | 2018-06-05 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6GGP
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![BU of 6ggp by Molmil](/molmil-images/mine/6ggp) | Structure of the ligand-free form of truncated ArgBP (residues 20-233) from T. maritima | 分子名称: | Amino acid ABC transporter, periplasmic amino acid-binding protein | 著者 | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | 登録日 | 2018-05-03 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization. Biochim. Biophys. Acta, 1866, 2018
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6GGV
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![BU of 6ggv by Molmil](/molmil-images/mine/6ggv) | Structure of the arginine-bound form of truncated (residues 20-233) ArgBP from T. maritima | 分子名称: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | 著者 | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | 登録日 | 2018-05-04 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization. Biochim. Biophys. Acta, 1866, 2018
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6J93
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![BU of 6j93 by Molmil](/molmil-images/mine/6j93) | Crystal structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.95 A resolution | 分子名称: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | 著者 | Viswanathan, V, Sharma, P, Singh, P.K, Iqbal, N, Sharma, S, Singh, T.P. | 登録日 | 2019-01-21 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Crystal structure of Peptidyl-tRNA hydrolase form apo at 0.95 A resolution. To Be Published
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6GPM
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![BU of 6gpm by Molmil](/molmil-images/mine/6gpm) | Crystal structure of domain 2 from TmArgBP | 分子名称: | Amino acid ABC transporter, periplasmic amino acid-binding protein | 著者 | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | 登録日 | 2018-06-06 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6H1Y
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![BU of 6h1y by Molmil](/molmil-images/mine/6h1y) | CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI | 分子名称: | Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1 | 著者 | Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L. | 登録日 | 2018-07-12 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Loop size optimization induces a strong thermal stabilization of the thioredoxin fold. Febs J., 286, 2019
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6GPC
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![BU of 6gpc by Molmil](/molmil-images/mine/6gpc) | Crystal structure of the arginine-bound form of domain 1 from TmArgBP | 分子名称: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | 著者 | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | 登録日 | 2018-06-05 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6K2M
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![BU of 6k2m by Molmil](/molmil-images/mine/6k2m) | |
3CLC
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![BU of 3clc by Molmil](/molmil-images/mine/3clc) | Crystal Structure of the Restriction-Modification Controller Protein C.Esp1396I Tetramer in Complex with its Natural 35 Base-Pair Operator | 分子名称: | 35-MER, MAGNESIUM ION, Regulatory protein | 著者 | McGeehan, J.E, Streeter, S.D, Thresh, S.J, Ball, N, Ravelli, R.B, Kneale, G.G. | 登録日 | 2008-03-18 | 公開日 | 2008-07-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural analysis of the genetic switch that regulates the expression of restriction-modification genes. Nucleic Acids Res., 36, 2008
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3V49
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![BU of 3v49 by Molmil](/molmil-images/mine/3v49) | Structure of ar lbd with activator peptide and sarm inhibitor 1 | 分子名称: | 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... | 著者 | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | 登録日 | 2011-12-14 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
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3FYA
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![BU of 3fya by Molmil](/molmil-images/mine/3fya) | Crystal Structure of an R35A mutant of the Restriction-Modification Controller Protein C.Esp1396I | 分子名称: | Regulatory protein | 著者 | Ball, N.J, McGeehan, J.E, Thresh, S.J, Streeter, S.D, Kneale, G.G. | 登録日 | 2009-01-22 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of the restriction-modification controller protein C.Esp1396I. Acta Crystallogr.,Sect.D, 65, 2009
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