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PDB: 119 件

7RYT
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Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
分子名称: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2021-08-26
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
5VSJ
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Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
著者Petit, C, Ronning, D.R.
登録日2017-05-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.456 Å)
主引用文献Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S.
Org. Biomol. Chem., 15, 2017
8FFF
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Crystal structure of Staphylococcus aureus D-alanine D-alanine ligase enzyme in complex with acetate
分子名称: ACETATE ION, D-alanine--D-alanine ligase
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-12-08
公開日2024-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Staphylococcus aureus counters organic acid anion-mediated inhibition of peptidoglycan cross-linking through robust alanine racemase activity.
Biorxiv, 2024
8GLB
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Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate
分子名称: 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-21
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMI
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Citrate Synthase (CitA) in Mycobacterium tuberculosis modified by Ebselen at C143 residue
分子名称: CITRATE ANION, N-phenyl-2-selanylbenzamide, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GI7
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C143A variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase (unknown stereospecificity)
著者Pathirage, R, Ronning, D.
登録日2023-03-13
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GM9
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Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-24
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLL
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R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Pathirage, R, Ronning, D, Petit, C.
登録日2023-03-22
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMF
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R153M variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GIW
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C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D.
登録日2023-03-14
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMK
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Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
著者Pathirage, R, Ronning, D, Yamsek, M.
登録日2023-03-26
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
5CCD
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BU of 5ccd by Molmil
Joint X-ray/neutron structure of MTAN D198N complex with SAH
分子名称: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2015-07-01
公開日2016-11-23
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1NKT
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BU of 1nkt by Molmil
CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit
著者Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2003-01-03
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
8F5V
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Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
分子名称: Conserved protein, Mycothiol, ZINC ION
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-15
公開日2023-04-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
2VJV
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Crystal structure of the IS608 transposase in complex with left end 26-mer DNA hairpin and a 6-mer DNA representing the left end cleavage site
分子名称: 5'-D(*DA*DA*DA*DG*DC*DC*DC*DC*DT*DA*DG*DC*DTP*DT *DT*DT*DA*DG*DC*DT*DA*DT*DG*DG*DG*DGP)-3', 5'-D(*DT*DA*DT*DT*DA*DCP)-3', MAGNESIUM ION, ...
著者Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
登録日2007-12-13
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
2VIC
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CRYSTAL STRUCTURE OF THE ISHP608 TRANSPOSASE IN COMPLEX with Left end 26- mer DNA and manganese
分子名称: 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', MANGANESE (II) ION, TRANSPOSASE ORFA
著者Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
登録日2007-11-29
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
2VIH
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BU of 2vih by Molmil
CRYSTAL STRUCTURE OF THE IS608 TRANSPOSASE IN COMPLEX WITH Left END 26-MER DNA
分子名称: 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', TRANSPOSASE ORFA
著者Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
登録日2007-12-04
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
1RZ9
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BU of 1rz9 by Molmil
Crystal Structure of AAV Rep complexed with the Rep-binding sequence
分子名称: 26-MER, Rep protein
著者Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M, Dyda, F.
登録日2003-12-24
公開日2004-02-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The nuclease domain of adeno-associated virus rep coordinates replication initiation using two distinct DNA recognition interfaces.
Mol.Cell, 13, 2004
2VJU
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Crystal structure of the IS608 transposase in complex with the complete Right end 35-mer DNA and manganese
分子名称: MANGANESE (II) ION, RIGHT END 35-MER, TRANSPOSASE ORFA
著者Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
登録日2007-12-13
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
2VHG
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BU of 2vhg by Molmil
Crystal Structure of the ISHp608 Transposase in Complex with Right End 31-mer DNA
分子名称: MANGANESE (II) ION, RIGHT END 31-MER, TRANSPOSASE ORFA
著者Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
登録日2007-11-21
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
8F2L
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Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
分子名称: Homoserine O-acetyltransferase, L-HOMOSERINE
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-08
公開日2023-03-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
1NL3
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CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM
分子名称: PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT
著者Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2003-01-06
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
1YNL
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Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
分子名称: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain
著者Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
登録日2005-01-24
公開日2005-08-16
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
1YNK
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Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
分子名称: 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa light chain
著者Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
登録日2005-01-24
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
5VT4
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Sco GlgEI-V279S in complex with a pyrolidene-based methyl-phosphonate compound
分子名称: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
著者Petit, C, Ronning, D.R, Lindenberger, J.J.
登録日2017-05-15
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S.
Org. Biomol. Chem., 15, 2017

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