5NR7
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![BU of 5nr7 by Molmil](/molmil-images/mine/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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4FNP
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![BU of 4fnp by Molmil](/molmil-images/mine/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
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![BU of 4fns by Molmil](/molmil-images/mine/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
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![BU of 4fnq by Molmil](/molmil-images/mine/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
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![BU of 4fnu by Molmil](/molmil-images/mine/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
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![BU of 4fnr by Molmil](/molmil-images/mine/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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4FNT
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![BU of 4fnt by Molmil](/molmil-images/mine/4fnt) | Crystal structure of GH36 alpha-galactosidase AgaA A355E D548N from Geobacillus stearothermophilus in complex with raffinose | Descriptor: | Alpha-galactosidase AgaA, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | 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 (2.6 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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6GFF
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![BU of 6gff by Molmil](/molmil-images/mine/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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4WOE
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![BU of 4woe by Molmil](/molmil-images/mine/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
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![BU of 4wod by Molmil](/molmil-images/mine/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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8CR6
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![BU of 8cr6 by Molmil](/molmil-images/mine/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
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![BU of 8cr5 by Molmil](/molmil-images/mine/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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4WO8
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![BU of 4wo8 by Molmil](/molmil-images/mine/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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6YT1
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![BU of 6yt1 by Molmil](/molmil-images/mine/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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5NRN
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![BU of 5nrn by Molmil](/molmil-images/mine/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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5NQ5
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![BU of 5nq5 by Molmil](/molmil-images/mine/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
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![BU of 5nrq by Molmil](/molmil-images/mine/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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6YIG
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![BU of 6yig by Molmil](/molmil-images/mine/6yig) | Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1 | Descriptor: | CALCIUM ION, Calcium-binding EF hand family protein, SODIUM ION | Authors: | Yperman, K, Merceron, R, De Munck, S, Bloch, Y, Savvides, S.N, Pleskot, R, Van Damme, D. | Deposit date: | 2020-04-01 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding. Nat Commun, 12, 2021
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