1GTV
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![BU of 1gtv by Molmil](/molmil-images/mine/1gtv) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-21 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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1GSI
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![BU of 1gsi by Molmil](/molmil-images/mine/1gsi) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-03 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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1N5J
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![BU of 1n5j by Molmil](/molmil-images/mine/1n5j) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION) | Descriptor: | MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 327, 2003
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1N5I
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![BU of 1n5i by Molmil](/molmil-images/mine/1n5i) | CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
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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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1G3U
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![BU of 1g3u by Molmil](/molmil-images/mine/1g3u) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | Descriptor: | MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Li de la Sierra, I, Munier-Lehmann, H, Gilles, A.M, Barzu, O, Delarue, M. | Deposit date: | 2000-10-25 | Release date: | 2001-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray structure of TMP kinase from Mycobacterium tuberculosis complexed with TMP at 1.95 A resolution. J.Mol.Biol., 311, 2001
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4UNR
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![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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1MRS
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![BU of 1mrs by Molmil](/molmil-images/mine/1mrs) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH 5-CH2OH DEOXYURIDINE MONOPHOSPHATE | Descriptor: | 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M. | Deposit date: | 2002-09-18 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism. J.Biol.Chem., 278, 2003
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1W2H
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![BU of 1w2h by Molmil](/molmil-images/mine/1w2h) | Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Azidothymidine Monophosphate (AZT-MP) (2.0 A Resolution) | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ACETATE ION, THYMIDYLATE KINASE TMK | Authors: | Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D. | Deposit date: | 2004-07-06 | Release date: | 2005-01-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of Mycobacterium tuberculosis thymidylate kinase in complex with 3'-azidodeoxythymidine monophosphate suggests a mechanism for competitive inhibition. Biochemistry, 44, 2005
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1W2G
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![BU of 1w2g by Molmil](/molmil-images/mine/1w2g) | Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Deoxythymidine (dT) (2.1 A Resolution) | Descriptor: | ACETATE ION, THYMIDINE, THYMIDYLATE KINASE TMK | Authors: | Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D. | Deposit date: | 2004-07-06 | Release date: | 2005-01-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of Mycobacterium Tuberculosis Thymidylate Kinase in Complex with 3'-Azidodeoxythymidine Monophosphate Suggests a Mechanism for Competitive Inhibition Biochemistry, 44, 2005
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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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1N5K
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![BU of 1n5k by Molmil](/molmil-images/mine/1n5k) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A) | Descriptor: | ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 375, 2003
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4UNS
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![BU of 4uns by Molmil](/molmil-images/mine/4uns) | Mtb TMK in complex with compound 40 | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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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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4UNP
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![BU of 4unp by Molmil](/molmil-images/mine/4unp) | Mtb TMK in complex with compound 34 | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNQ
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![BU of 4unq by Molmil](/molmil-images/mine/4unq) | Mtb TMK in complex with compound 36 | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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1N5L
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![BU of 1n5l by Molmil](/molmil-images/mine/1n5l) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION) | Descriptor: | ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 375, 2003
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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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1MRN
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![BU of 1mrn by Molmil](/molmil-images/mine/1mrn) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH BISUBSTRATE INHIBITOR (TP5A) | Descriptor: | MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, ... | Authors: | Haouz, A, Vanheusden, V, Munier-Lehmann, H, Froeyen, M, Herdewijn, P, Van Calenbergh, S, Delarue, M. | Deposit date: | 2002-09-18 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Enzymatic and structural analysis of inhibitors designed against Mycobacterium tuberculosis thymidylate kinase. New insights into the phosphoryl transfer mechanism. J.Biol.Chem., 278, 2003
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4UNN
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![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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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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