6ARE
| Aspergillus fumigatus Cytosolic Thiolase in complex with two tetrahedral reaction intermediates and ammonium ions | Descriptor: | ACETATE ION, ACETYL COENZYME *A, AMMONIUM ION, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-22 | Release date: | 2018-05-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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6ARL
| Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions | Descriptor: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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6AQP
| Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions | Descriptor: | ACETYL COENZYME *A, Acetyl-CoA acetyltransferase, CHLORIDE ION, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-21 | Release date: | 2018-05-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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6BPY
| Aspergillus fumigatus Thioredoxin Reductase | Descriptor: | ACETATE ION, D-MALATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Marshall, A.C, Bruning, J.B. | Deposit date: | 2017-11-27 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structure, Mechanism, and Inhibition ofAspergillus fumigatusThioredoxin Reductase. Antimicrob.Agents Chemother., 63, 2019
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6BLD
| Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone | Descriptor: | (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, Cytochrome P450 268A2 Cyp268A2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Child, S.A, Bruning, J.B, Bell, S.G. | Deposit date: | 2017-11-09 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural and functional characterisation of the cytochrome P450 enzyme CYP268A2 from Biochem. J., 475, 2018
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6C2D
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6C3H
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6C3J
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6D3E
| PPARg LBD in Complex with SR1988 | Descriptor: | 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Bruning, J.B. | Deposit date: | 2018-04-15 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988. Nucl Receptor Res, 5, 2018
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6NDL
| Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | Descriptor: | 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 | Authors: | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads. Acs Chem.Biol., 14, 2019
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6NMZ
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-14 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D To Be Published
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6NVD
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9 | Descriptor: | 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 | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9 To Be Published
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6NKA
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6NL5
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6NVF
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | Descriptor: | (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, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 To Be Published
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6NLZ
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D To Be Published
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6NN0
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-14 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D To Be Published
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6NKB
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6NL4
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6NWN
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 | Descriptor: | 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC ACID | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 To Be Published
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6NWG
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6NNZ
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-15 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 To Be Published
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6NVE
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 To Be Published
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6NU6
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | Descriptor: | 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, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-31 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 To Be Published
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6NVC
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-04 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 To Be Published
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