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PDB: 787 件
1K4G
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BU of 1k4g by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
分子名称: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
登録日2001-10-08
公開日2002-04-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
ChemBioChem, 3, 2002
5VWQ
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BU of 5vwq by Molmil
E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase
著者Mascarenhas, R, Lehrer, H, Liu, D, Ringe, D.
登録日2017-05-22
公開日2017-08-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
3ECO
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BU of 3eco by Molmil
Crystal structure of MepR, a transcription regulator of the Staphylococcus aureus multidrug efflux pump MepA
分子名称: MepR, SULFATE ION
著者Brennan, R.G, Kumaraswami, M.
登録日2008-09-01
公開日2009-02-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical characterization of MepR, a multidrug binding transcription regulator of the Staphylococcus aureus multidrug efflux pump MepA.
Nucleic Acids Res., 37, 2009
1TRI
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BU of 1tri by Molmil
THE CRYSTAL STRUCTURE OF AN ENGINEERED MONOMERIC TRIOSEPHOSPHATE ISOMERASE, MONOTIM: THE CORRECT MODELLING OF AN EIGHT-RESIDUE LOOP
分子名称: SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
著者Wierenga, R.K.
登録日1993-10-08
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of an engineered monomeric triosephosphate isomerase, monoTIM: the correct modelling of an eight-residue loop.
Structure, 1, 1993
1DUB
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BU of 1dub by Molmil
2-ENOYL-COA HYDRATASE, DATA COLLECTED AT 100 K, PH 6.5
分子名称: 2-ENOYL-COA HYDRATASE, ACETOACETYL-COENZYME A
著者Wierenga, R.K, Engel, C.K.
登録日1996-06-10
公開日1997-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of enoyl-coenzyme A (CoA) hydratase at 2.5 angstroms resolution: a spiral fold defines the CoA-binding pocket.
EMBO J., 15, 1996
1DN8
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BU of 1dn8 by Molmil
STRUCTURE OF A Z-DNA WITH TWO DIFFERENT BACKBONE CHAIN CONFORMATIONS. STABILIZATION OF THE DECADEOXYOLIGONUCLEOTIDE D(CGTACGTACG) BY (CO(NH3)6)3+ BINDING TO THE GUANINE
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*P*CP*GP*TP*AP*CP*GP*TP*AP*CP*G)-3')
著者Brennan, R.G, Westhof, E, Sundaralingam, M.
登録日1987-05-12
公開日1988-04-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a Z-DNA with two different backbone chain conformations. Stabilization of the decadeoxyoligonucleotide d(CGTACGTACG) by [Co(NH3)6]3+ binding to the guanine.
J.Biomol.Struct.Dyn., 3, 1986
2AQD
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BU of 2aqd by Molmil
cytochrome c peroxidase (CCP) in complex with 2,5-diaminopyridine
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-17
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2AS2
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BU of 2as2 by Molmil
cytochrome c peroxidase in complex with 2-iminopiperidine
分子名称: Cytochrome c peroxidase, mitochondrial, PIPERIDIN-2-IMINE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2AS4
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cytochrome c peroxidase in complex with 3-fluorocatechol
分子名称: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-22
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
1S39
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CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-aminoquinazolin-4(3H)-one
分子名称: 2-AMINOQUINAZOLIN-4(3H)-ONE, ZINC ION, tRNA guanine transglycosylase
著者Brenk, R, Meyer, E.A, Reuter, K, Garcia, G.A, Stubbs, M.T, Klebe, G.
登録日2004-01-12
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Synthesis and In Vitro Evaluation of 2-Aminoquinazolin-4(3H)-one-Based Inhibitors for tRNA-Guanine Transglycosylase (TGT)
HELV.CHIM.ACTA, 87, 2004
2EUN
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BU of 2eun by Molmil
Cytochrome c peroxidase (CCP) in complex with 2,4-diaminopyrimidine
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PYRIMIDINE-2,4-DIAMINE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUT
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BU of 2eut by Molmil
Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline
分子名称: 4-METHYLPYRIDIN-2-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUQ
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BU of 2euq by Molmil
Cytochrome c peroxydase (CCP) in complex with 3-thienylmethylamine
分子名称: 1-THIEN-3-YLMETHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUP
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BU of 2eup by Molmil
Cytochrome c peroxidase (CCP) in complex with 2-amino-5-picoline
分子名称: 5-METHYLPYRIDIN-2-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUO
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BU of 2euo by Molmil
Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine
分子名称: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUS
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BU of 2eus by Molmil
Cytochrome c peroxidase (CCP) in complex with benzylamine
分子名称: BENZYLAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUR
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BU of 2eur by Molmil
Cytochrome c peroxidase (CCP) in complex with 4-pyridylcarbinol
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PYRIDIN-4-YLMETHANOL, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
1N2V
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BU of 1n2v by Molmil
Crystal Structure of TGT in complex with 2-Butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
分子名称: 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Naerum, L, Graedler, U, Gerber, H.-D, Garcia, G.A, Reuter, K, Stubbs, M.T, Klebe, G.
登録日2002-10-24
公開日2003-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis
J.Med.Chem., 46, 2003
1P0E
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BU of 1p0e by Molmil
CRYSTAL STRUCTURE OF ZYMOMONAS MOBILIS tRNA-GUANINE TRANSGLYCOSYLASE (TGT) COCRYSTALLISED WITH PREQ1 AT PH 5.5
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
登録日2003-04-10
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
1Q4W
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BU of 1q4w by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE
分子名称: 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
登録日2003-08-04
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
1Q65
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CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-8-(2-dimethylaminoethylsulfanylmethyl)-3H-QUINAZOLIN-4-ONE crystallized at pH 5.5
分子名称: 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
登録日2003-08-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
1Q63
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BU of 1q63 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-Diamino-8-(1H-imidazol-2-ylsulfanylmethyl)-3H-quinazoline-4-one crystallized at pH 5.5
分子名称: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
登録日2003-08-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
1Q66
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CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-AMINO-6-AMINOMETHYL-8-phenylsulfanylmethyl-3H-QUINAZOLIN-4-ONE crystallized at pH 5.5
分子名称: 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
登録日2003-08-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
1OZQ
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CRYSTAL STRUCTURE OF THE MUTATED TRNA-GUANINE TRANSGLYCOSYLASE (TGT)Y106F COMPLEXED WITH PREQ1
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
登録日2003-04-09
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
1OZM
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Y106F mutant of Z. mobilis TGT
分子名称: Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
登録日2003-04-09
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003

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