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4FQS
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Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C.
登録日2012-06-25
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
4FOA
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Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FD5
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BU of 4fd5 by Molmil
Crystal structure of arylalkylamine N-Acetyltransferase 2 from Aedes aegypti
分子名称: IODIDE ION, arylalkylamine N-Acetyltransferase 2
著者Han, Q, Robinson, R, Li, J.
登録日2012-05-26
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FD4
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Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b
分子名称: GLYCEROL, arylalkylamine N-Acetyltransferase like 5b
著者Han, Q, Robinson, R, Li, J.
登録日2012-05-26
公開日2012-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FOG
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BU of 4fog by Molmil
Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
1ON3
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BU of 1on3 by Molmil
Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ...
著者Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C.
登録日2003-02-26
公開日2003-05-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
2Z2C
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BU of 2z2c by Molmil
MURA inhibited by unag-cnicin adduct
分子名称: 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE
著者Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D.
登録日2007-05-17
公開日2008-05-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
To be Published
4G6W
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BU of 4g6w by Molmil
Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol
分子名称: 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase
著者Celeste, L.R, Lebioda, L.
登録日2012-07-19
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
1P89
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Substrate-induced Structural Changes to the Isolated N-Terminal Domain of 5-Enolpyruvylshikimate-3-phosphate Synthase
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase
著者Young, J.K, Stauffer, M.E, Kim, H.J, Helms, G.L, Evans, J.N.S.
登録日2003-05-06
公開日2004-11-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Substrate-induced Structural Changes to the Isolated N-Terminal Domain of 5-Enolpyruvylshikimate-3-phosphate Synthase
To be Published
4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
分子名称: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2012-07-24
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
3VKA
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BU of 3vka by Molmil
Crystal structure of MoeO5 soaked for 3 hours in FsPP
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
2M9Y
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BU of 2m9y by Molmil
Solution Structure of the Catalytic Domain of HHARI
分子名称: E3 ubiquitin-protein ligase ARIH1, ZINC ION
著者Mercier, P, Spratt, D.E, Shaw, G.S.
登録日2013-06-24
公開日2013-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the HHARI catalytic domain shows glimpses of a HECT E3 ligase.
Plos One, 8, 2013
2CNS
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BU of 2cns by Molmil
RimI - Ribosomal S18 N-alpha-protein acetyltransferase in complex with acetylCoA.
分子名称: ACETYL COENZYME *A, MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18, PHOSPHATE ION
著者Vetting, M.W, Bareich, D.C, Yu, M, Blanchard, J.S.
登録日2006-05-23
公開日2007-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Rimi from Salmonella Typhimurium Lt2, the Gnat Responsible for N{Alpha}- Acetylation of Ribosomal Protein S18.
Protein Sci., 17, 2008
1OR5
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BU of 1or5 by Molmil
SOLUTION STRUCTURE OF THE HOLO-FORM OF THE FRENOLICIN ACYL CARRIER PROTEIN, MINIMIZED MEAN STRUCTURE
分子名称: acyl carrier protein
著者Li, Q, Khosla, C, Puglisi, J, Liu, C.W.
登録日2003-03-11
公開日2003-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure and Backbone Dynamics of the Holo Form of the Frenolicin Acyl Carrier Protein
Biochemistry, 42, 2003
1JGW
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BU of 1jgw by Molmil
Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Leu
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Camara-Artigas, A, Magee, C.L, Williams, J.C, Allen, J.P.
登録日2001-06-27
公開日2001-09-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Individual interactions influence the crystalline order for membrane proteins.
Acta Crystallogr.,Sect.D, 57, 2001
1SQH
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BU of 1sqh by Molmil
X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87.
分子名称: hypothetical protein CG14615-PA
著者Kuzin, A.P, Chen, Y, Forouhar, F, Acton, T.B, Xiao, R, Cooper, B, Ho, C.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2004-03-18
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87
To be Published
2Z87
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BU of 2z87 by Molmil
Crystal structure of chondroitin polymerase from Escherichia coli strain K4 (K4CP) complexed with UDP-GalNAc and UDP
分子名称: Chondroitin synthase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Osawa, T, Sugiura, N, Shimada, H, Hirooka, R, Tsuji, A, Kimura, M, Kimata, K, Kakuta, Y.
登録日2007-09-03
公開日2008-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of chondroitin polymerase from Escherichia coli K4.
Biochem. Biophys. Res. Commun., 378, 2009
1EJD
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BU of 1ejd by Molmil
Crystal structure of unliganded mura (type1)
分子名称: CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE
著者Eschenburg, S, Schonbrunn, E.
登録日2000-03-02
公開日2000-10-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Comparative X-ray analysis of the un-liganded fosfomycin-target murA.
Proteins, 40, 2000
2D0E
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BU of 2d0e by Molmil
Substrate assited in Oxygen Activation in Cytochrome P450 158A2
分子名称: 2-HYDROXYNAPHTHOQUINONE, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
著者Zhao, B, Waterman, M.R.
登録日2005-08-02
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
1OXK
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BU of 1oxk by Molmil
Complex between YPD1 and SLN1 response regulator domain in space group P3(2)
分子名称: SLN1, SULFATE ION, Ypd1p
著者Xu, Q, Porter, S.W, West, A.H.
登録日2003-04-02
公開日2003-12-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Yeast YPD1/SLN1 Complex. Insights into Molecular Recognition in Two-Component Signaling Systems.
Structure, 11, 2003
4G2M
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BU of 4g2m by Molmil
Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 2)
分子名称: Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase
著者Lallemand, L.A, McCarthy, J.G, McCarthy, A.A.
登録日2012-07-12
公開日2012-08-01
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structural basis for the biosynthesis of the major chlorogenic acids found in coffee.
Plant Physiol., 160, 2012
4G2O
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BU of 4g2o by Molmil
Human Thymidylate Synthase M190K with bound Purpurogallin
分子名称: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, Thymidylate synthase
著者Celeste, L.R, Lebioda, L.
登録日2012-07-12
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published
3VJA
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Crystal structure of the human squalene synthase
分子名称: NICKEL (II) ION, Squalene synthase
著者Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J.
登録日2011-10-14
公開日2012-04-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
1JTU
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E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-22
公開日2001-09-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
5XCW
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Crystal structure of M92A-M120A double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
分子名称: Cysteine synthase
著者Abhishek, K, Kumaran, S.
登録日2017-03-23
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020

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