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PDB: 121 件
4XWA
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TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine
分子名称: 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
著者Olivier, N.B.
登録日2015-01-28
公開日2015-02-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
3N2I
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2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine
分子名称: CHLORIDE ION, THYMIDINE, Thymidylate kinase
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-18
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
6YT1
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Mtb TMK crystal structure in complex with compound 26
分子名称: 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
著者Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N.
登録日2020-04-23
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents.
Eur.J.Med.Chem., 206, 2020
7FGQ
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Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
分子名称: THYMIDINE-5'-PHOSPHATE, dTMP kinase
著者Ramachandran, R, Vishwakarma, J, Sharma, V.K.
登録日2021-07-27
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
To Be Published
5TMP
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COMPLEX OF E. COLI THYMIDYLATE KINASE WITH THE BISUBSTRATE INHIBITOR AZTP5A
分子名称: P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE, PROTEIN (THYMIDYLATE KINASE)
著者Lavie, A, Ostermann, N, Schlichting, I.
登録日1998-09-01
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for efficient phosphorylation of 3'-azidothymidine monophosphate by Escherichia coli thymidylate kinase.
Proc.Natl.Acad.Sci.USA, 95, 1998
5UIV
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Structure of Thymidylate Kinase from Candida albicans Reveals Origin of Broad Substrate Specificity and a Novel Structural Element.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional thymidylate/uridylate kinase, MAGNESIUM ION, ...
著者Sinha, K, Rule, G.S.
登録日2017-01-15
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Structure of Thymidylate Kinase from Candida albicans Reveals a Unique Structural Element.
Biochemistry, 56, 2017
3HJN
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Crystal structure of thymidylate kinase in complex with dTDP and ADP from Thermotoga maritima
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ...
著者Yoshikawa, S, Nakagawa, N, Shirouzu, M, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-05-22
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymidylate kinase in complex with dTDP and ADP from Thermotoga maritima
To be Published
1TMK
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YEAST THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (DTMP)
分子名称: SULFATE ION, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE
著者Lavie, A, Schlichting, I.
登録日1997-06-12
公開日1998-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of thymidylate kinase reveals the cause behind the limiting step in AZT activation.
Nat.Struct.Biol., 4, 1997
1W2H
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Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Azidothymidine Monophosphate (AZT-MP) (2.0 A Resolution)
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ACETATE ION, THYMIDYLATE KINASE TMK
著者Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D.
登録日2004-07-06
公開日2005-01-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of Mycobacterium tuberculosis thymidylate kinase in complex with 3'-azidodeoxythymidine monophosphate suggests a mechanism for competitive inhibition.
Biochemistry, 44, 2005
1W2G
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Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Deoxythymidine (dT) (2.1 A Resolution)
分子名称: ACETATE ION, THYMIDINE, THYMIDYLATE KINASE TMK
著者Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D.
登録日2004-07-06
公開日2005-01-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of Mycobacterium Tuberculosis Thymidylate Kinase in Complex with 3'-Azidodeoxythymidine Monophosphate Suggests a Mechanism for Competitive Inhibition
Biochemistry, 44, 2005
2CCJ
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BU of 2ccj by Molmil
Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ...
著者Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2006-01-16
公開日2006-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
2CCG
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Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP)
分子名称: THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE
著者Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2006-01-16
公開日2006-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
2CCK
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CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE
著者Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2006-01-16
公開日2006-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
3LD9
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Crystal structure of thymidylate kinase from Ehrlichia chaffeensis at 2.15A resolution
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate kinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-01-12
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of thymidylate kinase from Ehrlichia chaffeensis.
Acta Crystallogr.,Sect.F, 67, 2011
3LV8
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BU of 3lv8 by Molmil
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
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-02-19
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
1NMY
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BU of 1nmy by Molmil
Crystal structure of human thymidylate kinase with FLTMP and AppNHp
分子名称: 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A.
登録日2003-01-12
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of human thymidylate kinase in complex with prodrugs: implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
1NMX
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Crystal structure of human thymidylate kinase with FLTMP and ADP
分子名称: 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A.
登録日2003-01-12
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of human thymidylate kinase in complex with prodrugs: implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
1NN1
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Crystal structure of human thymidylate kinase with ddTMP and AppNHp
分子名称: 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A.
登録日2003-01-12
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of human thymidylate kinase in complex with prodrugs: implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
1NN3
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Crystal structure of human thymidylate kinase with d4TMP + ADP
分子名称: 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A.
登録日2003-01-12
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of human thymidylate kinase in complex with prodrugs: implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
5NR7
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Mtb TMK crystal structure in complex with compound 43
分子名称: 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-22
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
5NQ5
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Mtb TMK crystal structure in complex with compound 1
分子名称: 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-19
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
5NRQ
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Mtb TMK crystal structure in complex with compound 33
分子名称: 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mtb TMK crystal structure in complex with compound LS3112
To Be Published
2PBR
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BU of 2pbr by Molmil
Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: SULFATE ION, Thymidylate kinase
著者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)
登録日2007-03-29
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
To be Published
5NRN
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Mtb TMK crystal structure in complex with compound 3
分子名称: 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mtb TMK crystal structure in complex with compound LS3080
To Be Published
2PLR
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BU of 2plr by Molmil
Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者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)
登録日2007-04-20
公開日2008-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
To be Published

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