3RUX
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4OP0
| Crystal structure of biotin protein ligase (RV3279C) of Mycobacterium tuberculosis, complexed with biotinyl-5'-AMP | Descriptor: | BIOTINYL-5-AMP, BirA bifunctional protein, SULFATE ION | Authors: | Ma, Q, Wilmanns, M, Akhter, Y. | Deposit date: | 2014-02-04 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Active site conformational changes upon reaction intermediate biotinyl-5'-AMP binding in biotin protein ligase from Mycobacterium tuberculosis. Protein Sci., 23, 2014
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4TVW
| Resorufin ligase with bound resorufin-AMP analog | Descriptor: | 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A | Authors: | Goldman, P.J, Drennan, C.L. | Deposit date: | 2014-06-28 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.505 Å) | Cite: | Computational design of a red fluorophore ligase for site-specific protein labeling in living cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TVY
| Apo resorufin ligase | Descriptor: | 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A | Authors: | Goldman, P.J, Drennan, C.L. | Deposit date: | 2014-06-28 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Computational design of a red fluorophore ligase for site-specific protein labeling in living cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WF2
| Structure of E. coli BirA G142A bound to biotinol-5'-AMP | Descriptor: | ((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, Bifunctional ligase/repressor BirA | Authors: | Eginton, C, Beckett, D, Wade, H. | Deposit date: | 2014-09-11 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Allosteric Coupling via Distant Disorder-to-Order Transitions. J.Mol.Biol., 427, 2015
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4XTU
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | Descriptor: | Bifunctional ligase/repressor BirA, N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6500299 Å) | Cite: | Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) To be Published
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4XTV
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) | Descriptor: | Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45000839 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTW
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH | Descriptor: | 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.30014467 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTX
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH | Descriptor: | 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.30010319 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTY
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH | Descriptor: | 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.80002666 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTZ
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4XU0
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4XU1
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4XU2
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose | Descriptor: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8500284 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XU3
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose | Descriptor: | Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Authors: | De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2015-01-24 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.242677 Å) | Cite: | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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5IBY
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5ICH
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5ICL
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5IDH
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5IJ6
| Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid | Descriptor: | CHLORIDE ION, LIPOIC ACID, Lipoate--protein ligase, ... | Authors: | Hughes, S.J, Lyle, A.G, Song, J.H, Antoshchenko, T, Park, H. | Deposit date: | 2016-03-01 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid to be published
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5T8U
| Crystal structure of P. falciparum LipL1 in complex lipoate | Descriptor: | LIPOIC ACID, Lipoate-protein ligase 1 | Authors: | Guerra, A.J, Afanador, G.A, Prigge, S.T. | Deposit date: | 2016-09-08 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.324 Å) | Cite: | Crystal structure of lipoate-bound lipoate ligase 1, LipL1, from Plasmodium falciparum. Proteins, 85, 2017
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6CK0
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6JHU
| Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP | Descriptor: | BIOTINYL-5-AMP, Biotin/lipoate protein ligase-like protein, SULFATE ION | Authors: | Rajak, M, Patel, A, Sundd, M. | Deposit date: | 2019-02-19 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Leishmania major biotin protein ligase forms a unique cross-handshake dimer Acta Crystallogr.,Sect.D, 77, 2021
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6JOM
| Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae | Descriptor: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase | Authors: | Zhang, H, Chen, H, Ma, G. | Deposit date: | 2019-03-22 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae. Front Cell Infect Microbiol, 10, 2020
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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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