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PDB: 119 件

8S97
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C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-27
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
8S9D
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C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-27
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
4QE3
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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
4QDZ
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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
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
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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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
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
8D6K
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Sco GlgEI-V279S in complex with cyclohexyl carbasugar
分子名称: (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
著者Jayasinghe, T.J, Ronning, D.R.
登録日2022-06-06
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献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
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
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
1UUT
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The Nuclease Domain of Adeno-Associated Virus Rep Complexed with the RBE' Stemloop of the Viral Inverted Terminal Repeat
分子名称: 5'-D(*CP*AP*GP*CP*TP*CP*TP*TP*TP*GP *AP*GP*CP*TP*G)-3', CHLORIDE ION, MAGNESIUM ION, ...
著者Dyda, F, Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M.
登録日2004-01-10
公開日2004-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 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
7UVD
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Sco GlgEI-V279S in complex with cyclohexyl carbasugar
分子名称: (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
著者Jayasinghe, T.D, Ronning, D.R.
登録日2022-04-30
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
1RZ9
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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
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
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
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
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
7MYG
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M. tb Ag85C modified by THL-10d
分子名称: Diacylglycerol acyltransferase, GLYCEROL
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-05-21
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Total Synthesis of Tetrahydrolipstatin, Its Derivatives, and Evaluation of Their Ability to Potentiate Multiple Antibiotic Classes against Mycobacterium Species.
Acs Infect Dis., 7, 2021
7SEX
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BU of 7sex by Molmil
M. tb EgtD in complex with TGX221
分子名称: 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-02
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SEW
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BU of 7sew by Molmil
M. tb EgtD in complex with HD6
分子名称: 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-02
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SF5
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M. tb EgtD in complex with HD3
分子名称: Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-03
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021

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件を2024-06-19に公開中

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