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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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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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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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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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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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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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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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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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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5O2M
 | | p130Cas SH3 domain | | Descriptor: | Breast cancer anti-estrogen resistance 1 | | 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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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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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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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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5E7V
 | | Potent Vitamin D Receptor Agonist | | Descriptor: | 1-ALPHA-HYDROXY-27-NOR-25-O-CARBONYL-VITAMIN D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Otero, R, Seoane, S, Sigueiro, R, Belorusova, A.Y, Maestro, M.A, Perez-Fernandez, R, Rochel, N, Mourino, A. | | Deposit date: | 2015-10-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Carborane-based design of a potent vitamin D receptor agonist.
Chem Sci, 7, 2016
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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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6GFF
 | | Structure of GARP (LRRC32) in complex with latent TGF-beta1 and MHG-8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing protein 32, MHG-8 Fab heavy chain, ... | | Authors: | Merceron, R, Lienart, S, Vanderaa, C, Colau, D, Stockis, J, Van Der Woning, B, De Haard, H, Saunders, M, Coulie, P.G, Savvides, S.N, Lucas, S. | | Deposit date: | 2018-04-30 | | Release date: | 2018-11-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of latent TGF-beta 1 presentation and activation by GARP on human regulatory T cells.
Science, 362, 2018
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6YT1
 | | Mtb TMK crystal structure in complex with compound 26 | | Descriptor: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase | | Authors: | Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N. | | Deposit date: | 2020-04-23 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Eur.J.Med.Chem., 206, 2020
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8TGY
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2MVC
 | | Solution structure of human insulin at pH 1.9 | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Hexnerova, R, Krizkova, K, Maletinska, L, Jiracek, J, Brzozowski, A.M, Zakova, L, Veverka, V. | | Deposit date: | 2014-10-02 | | Release date: | 2014-12-10 | | Last modified: | 2016-06-01 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Study of the GlnB22-Insulin Mutant Responsible for Maturity-Onset Diabetes of the Young.
Plos One, 9, 2014
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