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4DQ2
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Structure of staphylococcus aureus biotin protein ligase in complex with biotinol-5'-amp
分子名称: ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, Biotin-[acetyl-CoA-carboxylase] ligase
著者Wilce, M, Yap, M, Pendini, N, Soares de Costa, T, Polyak, S, Tieu, W, Booker, G, Wallace, J.
登録日2012-02-14
公開日2012-04-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
4WOP
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BU of 4wop by Molmil
Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, SULFATE ION
著者Salaemae, W, Yap, M.Y, Wegener, K.L, Booker, G.W, Wilce, M.C.J, Polyak, S.W.
登録日2014-10-16
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase.
Tuberculosis (Edinb), 95, 2015
4HA8
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BU of 4ha8 by Molmil
Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
分子名称: (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin-[acetyl-CoA-carboxylase] ligase
著者Yap, M, Wilce, M, Polyak, S, Soares da Costa, T, Tieu, W.
登録日2012-09-25
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
To be Published
6E06
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6CZD
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BU of 6czd by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6NDL
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Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor
分子名称: 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL
著者Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K.
登録日2018-12-13
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
6CVU
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BU of 6cvu by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.426 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6NMZ
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BU of 6nmz by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-14
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
To Be Published
6NLZ
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BU of 6nlz by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-10
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
To Be Published
6NN0
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-14
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D
To Be Published
6NNZ
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-15
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
To Be Published
6NU6
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BU of 6nu6 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
分子名称: 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-31
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
To Be Published
6NVD
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BU of 6nvd by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9
分子名称: 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9
To Be Published
6NKA
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BU of 6nka by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine
分子名称: 2'-DEOXYCYTIDINE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-07
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine
To Be Published
6NVF
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BU of 6nvf by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8
分子名称: (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8
To Be Published
6NL4
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine
分子名称: ATP-dependent dethiobiotin synthetase BioD, GEMCITABINE, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-07
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with gemcitabine
To Be Published
6NVE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
分子名称: 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
6NVC
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-04
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
To Be Published
6CVF
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZB
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BU of 6czb by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CVE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid
分子名称: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ...
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CVV
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZC
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018

 

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