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1C3E
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NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
分子名称: 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
著者Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日1999-07-27
公開日1999-12-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
1C2T
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NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
分子名称: 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
著者Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日1999-07-26
公開日2000-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
3GAR
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BU of 3gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
分子名称: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
著者Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
登録日1998-05-13
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
分子名称: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
著者Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
登録日1998-05-13
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
4GH8
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Crystal structure of a 'humanized' E. coli dihydrofolate reductase
分子名称: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
著者French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J.
登録日2012-08-07
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
4P66
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Electrostatics of Active Site Microenvironments of E. coli DHFR
分子名称: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
著者Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J.
登録日2014-03-21
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
4P68
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Electrostatics of Active Site Microenvironments for E. coli DHFR
分子名称: ACETATE ION, CALCIUM ION, Dihydrofolate reductase, ...
著者Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J.
登録日2014-03-22
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
2V0G
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site.
分子名称: AMINOACYL-TRNA SYNTHETASE, LEUCINE, MERCURY (II) ION, ...
著者Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K.
登録日2007-05-14
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
2V0C
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE In the synthetic site and an adduct of AMP with 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690) in the editing site
分子名称: AMINOACYL-TRNA SYNTHETASE, LEUCINE, SULFATE ION, ...
著者Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K.
登録日2007-05-14
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
1NJS
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human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase
著者Zhang, Y, Desharnais, J, Marsilje, T.H, Li, C, Hedrick, M.P, Gooljarsingh, L.T, Tavassoli, A, Benkovic, S.J, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2003-01-02
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Rational Design, Synthesis, Evaluation, and Crystal Structure of a Potent Inhibitor of Human GAR Tfase: 10-(Trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic Acid
Biochemistry, 42, 2003
1OZ0
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BU of 1oz0 by Molmil
CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.
分子名称: 2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
著者Wolan, D.W, Greasley, S.E, Wall, M.J, Benkovic, S.J, Wilson, I.A.
登録日2003-04-07
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Avian AICAR Transformylase with a Multisubstrate Adduct Inhibitor beta-DADF Identifies the Folate Binding Site.
Biochemistry, 42, 2003
1EZ1
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STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG, AMPPNP, AND GAR
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETATE ION, GLYCINAMIDE RIBONUCLEOTIDE, ...
著者Thoden, J.B, Firestine, S, Nixon, A, Benkovic, S.J, Holden, H.M.
登録日2000-05-09
公開日2000-08-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular structure of Escherichia coli PurT-encoded glycinamide ribonucleotide transformylase.
Biochemistry, 39, 2000
1EYZ
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STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG AND AMPPNP
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Thoden, J.B, Firestine, S, Nixon, A, Benkovic, S.J, Holden, H.M.
登録日2000-05-09
公開日2000-08-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular structure of Escherichia coli PurT-encoded glycinamide ribonucleotide transformylase.
Biochemistry, 39, 2000
1G8M
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CRYSTAL STRUCTURE OF AVIAN ATIC, A BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME IN PURINE BIOSYNTHESIS AT 1.75 ANG. RESOLUTION
分子名称: AICAR TRANSFORMYLASE-IMP CYCLOHYDROLASE, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
著者Greasley, S.E, Horton, P, Beardsley, G.P, Benkovic, S.J, Wilson, I.A.
登録日2000-11-17
公開日2001-04-27
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a bifunctional transformylase and cyclohydrolase enzyme in purine biosynthesis.
Nat.Struct.Biol., 8, 2001
1JKX
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Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase
分子名称: N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE
著者Greasley, S.E, Marsilje, T.H, Cai, H, Baker, S, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日2001-07-13
公開日2001-11-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase.
Biochemistry, 40, 2001
1KJQ
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Crystal structure of glycinamide ribonucleotide transformylase in complex with Mg-ADP
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
登録日2001-12-05
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
1KJJ
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Crystal structure of glycniamide ribonucleotide transformylase in complex with Mg-ATP-gamma-S
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
登録日2001-12-04
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
1KJI
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Crystal structure of glycinamide ribonucleotide transformylase in complex with Mg-AMPPCP
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
登録日2001-12-04
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
1KJ9
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Crystal structure of purt-encoded glycinamide ribonucleotide transformylase complexed with Mg-ATP
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
登録日2001-12-04
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
1KJ8
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Crystal Structure of PurT-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-ATP and GAR
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M.
登録日2001-12-04
公開日2002-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
43CA
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CRYSTALLOGRAPHIC STRUCTURE OF THE ESTEROLYTIC AND AMIDOLYTIC 43C9 ANTIBODY WITH BOUND P-NITROPHENOL
分子名称: P-NITROPHENOL, PROTEIN (IMMUNOGLOBULIN (HEAVY CHAIN)), PROTEIN (IMMUNOGLOBULIN (LIGHT CHAIN))
著者Thayer, M.M, Getzoff, E.D, Roberts, V.A.
登録日1999-03-10
公開日1999-08-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for amide hydrolysis catalyzed by the 43C9 antibody.
J.Mol.Biol., 291, 1999
43C9
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CRYSTALLOGRAPHIC STRUCTURE OF THE ESTEROLYTIC AND AMIDOLYTIC 43C9 ANTIBODY
分子名称: PROTEIN (IMMUNOGLOBULIN (HEAVY CHAIN)), PROTEIN (IMMUNOGLOBULIN (LIGHT CHAIN))
著者Thayer, M.M, Getzoff, E.D, Roberts, V.A.
登録日1999-03-10
公開日1999-08-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for amide hydrolysis catalyzed by the 43C9 antibody.
J.Mol.Biol., 291, 1999
8GAO
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bacteriophage T4 stalled primosome with mutant gp41-E227Q
分子名称: DNA (70-mer), DNA primase, DnaB-like replicative helicase, ...
著者Feng, X, Li, H.
登録日2023-02-23
公開日2023-06-07
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of the T4 bacteriophage primosome assembly and primer synthesis.
Nat Commun, 14, 2023
8G0Z
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Mutant bacteriophage T4 gp41 helicase hexamer bound with single strand DNA and ATPgammaS in the stalled primosome
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DnaB-like replicative helicase, MAGNESIUM ION, ...
著者Feng, X, Li, H.
登録日2023-02-01
公開日2023-06-14
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Structural basis of the T4 bacteriophage primosome assembly and primer synthesis.
Nat Commun, 14, 2023
7DFR
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CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. THE NADP+ HOLOENZYME AND THE FOLATE(DOT)NADP+ TERNARY COMPLEX. SUBSTRATE BINDING AND A MODEL FOR THE TRANSITION STATE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bystroff, C, Oatley, S.J, Kraut, J.
登録日1988-10-21
公開日1990-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase: the NADP+ holoenzyme and the folate.NADP+ ternary complex. Substrate binding and a model for the transition state.
Biochemistry, 29, 1990

 

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