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PDB: 119 results

8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S97
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BU of 8s97 by Molmil
C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
1M55
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BU of 1m55 by Molmil
Catalytic domain of the Adeno Associated Virus type 5 Rep protein
Descriptor: CHLORIDE ION, Rep protein, ZINC ION
Authors:Hickman, A.B, Ronning, D.R, Kotin, R.M, Dyda, F.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural unity among viral origin binding proteins: crystal structure of the nuclease domain of adeno-associated virus Rep.
Mol.Cell, 10, 2002
2BZF
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BU of 2bzf by Molmil
Structural basis for DNA bridging by barrier-to-autointegration factor (BAF)
Descriptor: 5'-D(*CP*CP*TP*CP*CP*AP*CP)-3', 5'-D(*GP*TP*GP*GP*AP*GP*GP)-3', BARRIER-TO-AUTOINTEGRATION FACTOR
Authors:Bradley, C.M, Ronning, D.R, Ghirlando, R, Craigie, R, Dyda, F.
Deposit date:2005-08-16
Release date:2005-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for DNA Bridging by Barrier-to-Autointegration Factor.
Nat.Struct.Mol.Biol., 12, 2005
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8D6K
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BU of 8d6k by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-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
Authors:Jayasinghe, T.J, Ronning, D.R.
Deposit date:2022-06-06
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
8UQV
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BU of 8uqv by Molmil
Trehalose Synthase (TreS) of Mycobacterium tuberculosis in complex with 6-TreAz compound
Descriptor: 6-azido-6-deoxy-alpha-D-glucopyranose, CALCIUM ION, Trehalose synthase/amylase TreS, ...
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-10-24
Release date:2024-03-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 10, 2024
8F2L
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BU of 8f2l by Molmil
Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-08
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
3HRH
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BU of 3hrh by Molmil
Crystal Structure of Antigen 85C and Glycerol
Descriptor: Antigen 85-C, GLYCEROL
Authors:Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R.
Deposit date:2009-06-09
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
8UZH
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BU of 8uzh by Molmil
SUMO fused Trehalose Synthase (TreS) of Mycobacterium tuberculosis
Descriptor: CALCIUM ION, SUMO fused Trehalose Synthase (TreS),Trehalose synthase/amylase TreS
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-11-15
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 10, 2024
5CCE
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BU of 5cce by Molmil
Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine
Descriptor: 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ...
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-02
Release date:2016-11-16
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5CCD
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BU of 5ccd by Molmil
Joint X-ray/neutron structure of MTAN D198N complex with SAH
Descriptor: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
Deposit date:2015-07-01
Release date:2016-11-23
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7UVD
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BU of 7uvd by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-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
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-30
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
7USG
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BU of 7usg by Molmil
BRD2-BD2 in complex with MDP5
Descriptor: (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, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USI
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BU of 7usi by Molmil
BRD2-BD1 in complex with MDP5
Descriptor: (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, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USH
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BU of 7ush by Molmil
BRD2-BD2 in complex with SF2523
Descriptor: 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
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.27 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7USJ
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BU of 7usj by Molmil
BRD4-BD2 in complex with SF2523
Descriptor: 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
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2022-04-25
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
7MEL
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BU of 7mel by Molmil
Sco GlgEI-V279S in complex with 4-alpha-glucoside of validamine
Descriptor: (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, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2021-04-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: (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, ...
Authors:Jayasinghe, T.D, Ronning, D.R.
Deposit date:2021-04-13
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
1NKT
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BU of 1nkt by Molmil
CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit
Authors: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)
Deposit date:2003-01-03
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
5WAS
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BU of 5was by Molmil
Corynebacterium glutamicum Hydrolyzed Homoserine kinase
Descriptor: Homoserine kinase, PHOSPHATE ION
Authors:Petit, C, Ronning, D.R.
Deposit date:2017-06-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018
5W95
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BU of 5w95 by Molmil
Mtb Rv3802c with PEG bound
Descriptor: Conserved membrane protein of uncharacterised function, PENTAETHYLENE GLYCOL
Authors:Goins, C.M, Schreidah, C.M, Ronning, D.R.
Deposit date:2017-06-22
Release date:2017-12-27
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Structural basis for lipid binding and mechanism of the Mycobacterium tuberculosis Rv3802 phospholipase.
J. Biol. Chem., 293, 2018
5VSJ
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BU of 5vsj by Molmil
Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound
Descriptor: 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
Authors:Petit, C, Ronning, D.R.
Deposit date:2017-05-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S.
Org. Biomol. Chem., 15, 2017
7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023

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数据于2024-07-17公开中

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