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1NL3
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BU of 1nl3 by Molmil
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
1M55
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Catalytic domain of the Adeno Associated Virus type 5 Rep protein
分子名称: CHLORIDE ION, Rep protein, ZINC ION
著者Hickman, A.B, Ronning, D.R, Kotin, R.M, Dyda, F.
登録日2002-07-08
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural unity among viral origin binding proteins: crystal structure of the nuclease domain of adeno-associated virus Rep.
Mol.Cell, 10, 2002
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
分子名称: CHLORIDE ION, Mycothiol-S-transferase
著者Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
登録日2023-01-24
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.36 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
8FFF
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BU of 8fff by Molmil
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
7RYT
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BU of 7ryt by Molmil
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
7USI
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BU of 7usi by Molmil
BRD2-BD1 in complex with MDP5
分子名称: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USG
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BRD2-BD2 in complex with MDP5
分子名称: (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BRD2-BD2 in complex with SF2523
分子名称: 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USJ
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BRD4-BD2 in complex with SF2523
分子名称: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USK
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BU of 7usk by Molmil
BRD4-BD2 Ligand free
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-25
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 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
7MEL
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BU of 7mel by Molmil
Sco GlgEI-V279S in complex with 4-alpha-glucoside of validamine
分子名称: (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2021-04-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Stereoselective synthesis of a 4-alpha-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
7MGY
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Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine
分子名称: (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2021-04-13
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
4OJT
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BU of 4ojt by Molmil
Helicobacter pylori MTAN complexed with S-ribosylhomocysteine and adenine
分子名称: ADENINE, MTA/SAH nucleosidase, S-ribosylhomocysteine
著者Mishra, V, Ronning, D.R.
登録日2014-01-21
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Biochemistry, 51, 2012
4MQM
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Crystal structure of Antigen 85C in presence of Ebselen
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R.
登録日2013-09-16
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.346 Å)
主引用文献Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
4QDT
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Crystal structure of Antigen 85C co-crystallized with iodoacetamide
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDX
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BU of 4qdx by Molmil
Crystal structure of Antigen 85C-C209G mutant
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QEK
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Crystal structure of Antigen 85C-S124A mutant
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION, alpha-D-glucopyranose
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-16
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDZ
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BU of 4qdz by Molmil
Crystal structure of Antigen 85C-E228Q mutant
分子名称: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, HEXAETHYLENE GLYCOL
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4OY3
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Crystal Structure of the Helicobacter pylori MTAN-D198N mutant with S-Adenosylhomocysteine in the active site
分子名称: Aminodeoxyfutalosine nucleosidase, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE
著者Mishra, V, Ronning, D.R.
登録日2014-02-10
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Biochemistry, 51, 2012
4QDO
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Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid
分子名称: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDU
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Crystal structure of Antigen 85C co-crystallized with ebselen
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QE3
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BU of 4qe3 by Molmil
Crystal structure of Antigen 85C-H260Q mutant
分子名称: ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-15
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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
5WAT
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BU of 5wat by Molmil
Corynebacterium glutamicum Full length Homoserine kinase
分子名称: HEXAETHYLENE GLYCOL, Homoserine kinase, MAGNESIUM ION, ...
著者Petit, C, Ronning, D.R.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018

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