5MHP
 
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | Descriptor: | 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, ... | | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | | Deposit date: | 2016-11-25 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | 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
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | Descriptor: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | | Authors: | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | | Deposit date: | 2016-10-28 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | | Descriptor: | (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, ... | | Authors: | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | | Deposit date: | 2020-04-03 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 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
 | | Hexamer of Helical HIV capsid by RASTR method | | Descriptor: | HIV capsid protein | | Authors: | Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P. | | Deposit date: | 2020-02-20 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.08 Å) | | Cite: | Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
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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 | | Descriptor: | CYTARABINE, PHOSPHATE ION, Peptidyl-tRNA hydrolase | | Authors: | Kaushik, S, Iqbal, N, Singh, N, Singh, P.K, Sharma, S, Singh, T.P. | | Deposit date: | 2017-08-23 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | 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
 | | THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN | | Descriptor: | Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mazzarella, L, Merlino, A, Balasco, N, Balsamo, A, Vergara, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ferric homotetrameric beta4human hemoglobin.
Biophys. Chem., 240, 2018
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5Y48
 | | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4-dione at 1.70 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome inactivating protein, URACIL | | Authors: | Singh, P.K, Pandey, S, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-08-01 | | Release date: | 2017-09-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
 | | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
 | | Crystal structure of PEG-1500 crystallized Peptidyl-tRNA Hydrolase from Acinetobacter baumannii at 1.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | | Authors: | Bairagya, H.R, Sharma, P, Iqbal, N, Sharma, S, Singh, T.P. | | Deposit date: | 2018-06-04 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | 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
 | | Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution | | Descriptor: | Putative methyltransferase | | Authors: | Venkataraman, S, Dhankar, A, Sinha, K.M, Manivasakan, P, Iqbal, N, Singh, T.P, Prasad, B.V.L.S. | | Deposit date: | 2018-08-22 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | 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
 | | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii | | Descriptor: | MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Bairagya, H.R, Sikarwar, J, Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-10-04 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of tetrameric Nucleoside diphosphate kinase at 1.98 A resolution from Acinetobacter baumannii
To Be Published
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6SVF
 | | Crystal structure of the P235GK mutant of ArgBP from T. maritima | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A. | | Deposit date: | 2019-09-18 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 75, 2019
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5YL8
 | | The crystal structure of inactive dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.79 A resolution | | Descriptor: | Peptidyl-tRNA hydrolase, SODIUM ION | | Authors: | Bairagya, H.R, Sharma, P, Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | 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
 | | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution | | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | | Authors: | Bairagya, H.R, Gupta, A, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-11-09 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | 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
 | | Crystal structure of the ligand-free form of domain 1 from TmArgBP | | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
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6GGP
 | | Structure of the ligand-free form of truncated ArgBP (residues 20-233) from T. maritima | | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | | Deposit date: | 2018-05-03 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | 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
 | | Structure of the arginine-bound form of truncated (residues 20-233) ArgBP from T. maritima | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | | Authors: | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | | Deposit date: | 2018-05-04 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | 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
 | | Crystal structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Iqbal, N, Sharma, S, Singh, T.P. | | Deposit date: | 2019-01-21 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal structure of Peptidyl-tRNA hydrolase form apo at 0.95 A resolution.
To Be Published
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6GPM
 | | Crystal structure of domain 2 from TmArgBP | | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | | Deposit date: | 2018-06-06 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
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6H1Y
 | | CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI | | Descriptor: | Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1 | | Authors: | Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Loop size optimization induces a strong thermal stabilization of the thioredoxin fold.
Febs J., 286, 2019
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6GPC
 | | Crystal structure of the arginine-bound form of domain 1 from TmArgBP | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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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3CLC
 | | Crystal Structure of the Restriction-Modification Controller Protein C.Esp1396I Tetramer in Complex with its Natural 35 Base-Pair Operator | | Descriptor: | 35-MER, MAGNESIUM ION, Regulatory protein | | Authors: | McGeehan, J.E, Streeter, S.D, Thresh, S.J, Ball, N, Ravelli, R.B, Kneale, G.G. | | Deposit date: | 2008-03-18 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of the genetic switch that regulates the expression of restriction-modification genes.
Nucleic Acids Res., 36, 2008
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3V49
 | | Structure of ar lbd with activator peptide and sarm inhibitor 1 | | Descriptor: | 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... | | Authors: | 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. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
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3FYA
 | | Crystal Structure of an R35A mutant of the Restriction-Modification Controller Protein C.Esp1396I | | Descriptor: | Regulatory protein | | Authors: | Ball, N.J, McGeehan, J.E, Thresh, S.J, Streeter, S.D, Kneale, G.G. | | Deposit date: | 2009-01-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the restriction-modification controller protein C.Esp1396I.
Acta Crystallogr.,Sect.D, 65, 2009
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