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4XWA
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BU of 4xwa by Molmil
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
Last modified:2024-05-01
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
6YT1
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BU of 6yt1 by Molmil
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
7FGQ
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BU of 7fgq by Molmil
Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
Descriptor: THYMIDINE-5'-PHOSPHATE, dTMP kinase
Authors:Ramachandran, R, Vishwakarma, J, Sharma, V.K.
Deposit date:2021-07-27
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of Thymidylate kinase with TMP and its low-resolution (SAXS) solution structure from Brugia malayi
To Be Published
3N2I
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BU of 3n2i by Molmil
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
1TMK
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BU of 1tmk by Molmil
YEAST THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (DTMP)
Descriptor: SULFATE ION, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE
Authors:Lavie, A, Schlichting, I.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thymidylate kinase reveals the cause behind the limiting step in AZT activation.
Nat.Struct.Biol., 4, 1997
3HJN
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BU of 3hjn by Molmil
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
1GTV
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BU of 1gtv by Molmil
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
1GSI
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BU of 1gsi by Molmil
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
4MQB
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BU of 4mqb by Molmil
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
5UIV
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BU of 5uiv by Molmil
Structure of Thymidylate Kinase from Candida albicans Reveals Origin of Broad Substrate Specificity and a Novel Structural Element.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional thymidylate/uridylate kinase, MAGNESIUM ION, ...
Authors:Sinha, K, Rule, G.S.
Deposit date:2017-01-15
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Thymidylate Kinase from Candida albicans Reveals a Unique Structural Element.
Biochemistry, 56, 2017
3LD9
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BU of 3ld9 by Molmil
Crystal structure of thymidylate kinase from Ehrlichia chaffeensis at 2.15A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-01-12
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
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
1W2H
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BU of 1w2h by Molmil
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
1W2G
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BU of 1w2g by Molmil
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
5TMP
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BU of 5tmp by Molmil
COMPLEX OF E. COLI THYMIDYLATE KINASE WITH THE BISUBSTRATE INHIBITOR AZTP5A
Descriptor: P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE, PROTEIN (THYMIDYLATE KINASE)
Authors:Lavie, A, Ostermann, N, Schlichting, I.
Deposit date:1998-09-01
Release date:1998-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for efficient phosphorylation of 3'-azidothymidine monophosphate by Escherichia coli thymidylate kinase.
Proc.Natl.Acad.Sci.USA, 95, 1998
2PBR
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BU of 2pbr by Molmil
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
4NZY
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BU of 4nzy by Molmil
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
2PLR
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BU of 2plr by Molmil
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
4UNP
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BU of 4unp by Molmil
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
4UNQ
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BU of 4unq by Molmil
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
4UNS
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BU of 4uns by Molmil
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
4HLC
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BU of 4hlc by Molmil
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5
Descriptor: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid, Thymidylate kinase
Authors:Boriack-Sjodin, A, Olivier, N.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
4HLD
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BU of 4hld by Molmil
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 11
Descriptor: 1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
Authors:Olivier, N.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
2CCJ
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BU of 2ccj by Molmil
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
2CCG
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BU of 2ccg by Molmil
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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數據於2024-09-18公開中

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