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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7FGQ
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4XWA
| TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine | Descriptor: | 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid, Thymidylate kinase | Authors: | Olivier, N.B. | Deposit date: | 2015-01-28 | Release date: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1 Bioorg Med Chem Lett, 2015
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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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3HJN
| Crystal structure of thymidylate kinase in complex with dTDP and ADP from Thermotoga maritima | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Yoshikawa, S, Nakagawa, N, Shirouzu, M, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-05-22 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of thymidylate kinase in complex with dTDP and ADP from Thermotoga maritima To be Published
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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: | 2011-07-13 | 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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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: | 2018-11-21 | 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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4MQB
| Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, Thymidylate kinase | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2013-09-16 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid To be Published
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4NZY
| Crystal structure (type-2) of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | Deposit date: | 2013-12-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Insight into Substrate Binding Mechanism in Thymidylate Kinase based on Intrinsic Dynamics of the Active Site To be Published
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3LD9
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3LV8
| 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-19 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP To be Published
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3N2I
| 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine | Descriptor: | CHLORIDE ION, THYMIDINE, Thymidylate kinase | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-18 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine To be Published
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1TMK
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2PBR
| Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | SULFATE ION, Thymidylate kinase | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 To be Published
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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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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
| 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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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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2CCJ
| Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2PLR
| Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kanaujia, S.P, Jeyakanthan, J, Rafi, Z.A, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-20 | Release date: | 2008-04-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 To be Published
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2CCG
| Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP) | Descriptor: | THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2CCK
| CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2TMK
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5H5B
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