1VRW
| Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ENOYL-ACYL CARRIER REDUCTASE | Authors: | Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-30 | Release date: | 2005-07-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for
Malarial Enoyl Acyl Carrier Protein Reductase J.Biol.Chem., 277, 2002
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4D6V
| Crystal structure of signal transducing protein | Descriptor: | G PROTEIN BETA SUBUNIT GIB2 | Authors: | Ero, R, Dimitrova, V.T, Chen, Y, Bu, W, Feng, S, Liu, T, Wang, P, Xue, C, Tan, S.M, Gao, Y.G. | Deposit date: | 2014-11-17 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Gib2, a Signal-Transducing Protein Scaffold Associated with Ribosomes in Cryptococcus Neoformans. Sci.Rep., 5, 2015
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4FNP
| Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus | Descriptor: | Alpha-galactosidase AgaA, SULFATE ION | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNS
| Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus in complex with 1-deoxygalactonojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-galactosidase AgaA, ... | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNQ
| Crystal structure of GH36 alpha-galactosidase AgaB from Geobacillus stearothermophilus | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase AgaB | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNU
| Crystal structure of GH36 alpha-galactosidase AgaA A355E D478A from Geobacillus stearothermophilus in complex with stachyose | Descriptor: | Alpha-galactosidase AgaA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNR
| Crystal structure of GH36 alpha-galactosidase AgaA from Geobacillus stearothermophilus | Descriptor: | Alpha-galactosidase AgaA | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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5NR7
| Mtb TMK crystal structure in complex with compound 43 | Descriptor: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-22 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
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8CR6
| mouse Interleukin-12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit alpha, Interleukin-12 subunit beta, ... | Authors: | Merceron, R, Felix, J, Lambert, E, Bloch, Y, Savvides, S.N. | Deposit date: | 2023-03-07 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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8CR5
| Murine Interleukin-12 receptor beta 1 domain 1 in complex with murine Interleukin-12 beta. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, Interleukin-12 subunit beta, ... | Authors: | Merceron, R, Bloch, Y, Felix, J, Savvides, S.N. | Deposit date: | 2023-03-07 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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5XZH
| Vitamin D receptor with a synthetic ligand ADRO2 | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Otero, R, Numoto, N, Ikura, T, Yamada, S, Mourino, A, Makishima, M, Ito, N. | Deposit date: | 2017-07-12 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex. J. Med. Chem., 61, 2018
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5XZF
| Vitamin D receptor with a synthetic ligand ADRO1 | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Otero, R, Numoto, N, Ikura, T, Yamada, S, Mourino, A, Makishima, M, Ito, N. | Deposit date: | 2017-07-12 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex. J. Med. Chem., 61, 2018
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4WOE
| The duplicated taurocyamine kinase from Schistosoma mansoni with bound transition state analog (TSA) components | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | Authors: | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | Deposit date: | 2014-10-15 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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4WOD
| The duplicated taurocyamine kinase from Schistosoma mansoni complexed with arginine | Descriptor: | ARGININE, Taurocyamine kinase | Authors: | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | Deposit date: | 2014-10-15 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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5NRN
| Mtb TMK crystal structure in complex with compound 3 | Descriptor: | 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mtb TMK crystal structure in complex with compound LS3080 To Be Published
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4WO8
| The substrate-free duplicated taurocyamine kinase from Schistosoma mansoni | Descriptor: | Taurocyamine kinase | Authors: | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | Deposit date: | 2014-10-15 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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5NQ5
| Mtb TMK crystal structure in complex with compound 1 | Descriptor: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-19 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
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5NRQ
| Mtb TMK crystal structure in complex with compound 33 | Descriptor: | 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mtb TMK crystal structure in complex with compound LS3112 To Be Published
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5MMK
| HYL-20 | Descriptor: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | Authors: | Hexnerova, R. | Deposit date: | 2016-12-10 | Release date: | 2017-09-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides. Pathog Dis, 75, 2017
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5MML
| HYL-20k | Descriptor: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | Authors: | Hexnerova, R. | Deposit date: | 2016-12-10 | Release date: | 2017-09-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides. Pathog Dis, 75, 2017
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5L3L
| D11 bound IGF-II | Descriptor: | Insulin-like growth factor II | Authors: | Hexnerova, R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain. J.Biol.Chem., 291, 2016
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5L3M
| D11 bound [S39_PQ]-IGF-II | Descriptor: | Insulin-like growth factor II | Authors: | Hexnerova, R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain. J.Biol.Chem., 291, 2016
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5L3N
| D11 bound [N29, S39_PQ]-IGF-II | Descriptor: | Insulin-like growth factor II | Authors: | Hexnerova, R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain. J.Biol.Chem., 291, 2016
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5O2P
| p130Cas SH3 domain PTP-PEST peptide chimera | Descriptor: | Breast cancer anti-estrogen resistance 1,Tyrosine-protein phosphatase non-receptor type 12 | Authors: | Hexnerova, R, Veverka, V. | Deposit date: | 2017-05-22 | Release date: | 2017-09-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. Sci Rep, 7, 2017
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5O2Q
| p130Cas SH3 domain Vinculin peptide chimera | Descriptor: | Breast cancer anti-estrogen resistance 1,Vinculin | Authors: | Hexnerova, R, Veverka, V. | Deposit date: | 2017-05-22 | Release date: | 2017-09-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners. Sci Rep, 7, 2017
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