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8FI3
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BU of 8fi3 by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
Descriptor: BIOTIN, Bifunctional ligase/repressor BirA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
To be published
8F8U
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BU of 8f8u by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
Descriptor: Bifunctional ligase/repressor BirA, IMIDAZOLE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-22
Release date:2022-11-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
To be published
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
Authors:Wilce, M.C.J, Cini, D.A.
Deposit date:2022-09-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
Descriptor: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:Wilce, M.C.J, Cini, D.
Deposit date:2019-05-01
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published
6NDL
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BU of 6ndl by Molmil
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
4XU3
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BU of 4xu3 by Molmil
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
4XU2
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BU of 4xu2 by Molmil
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
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
Descriptor: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
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 (1.70001328 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
Descriptor: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)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 (1.60000169 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
Descriptor: 9-[2-deoxy-2-fluoro-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 (1.90000677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTY
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BU of 4xty by Molmil
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
4XTX
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BU of 4xtx by Molmil
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
4XTW
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BU of 4xtw by Molmil
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
4XTV
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BU of 4xtv by Molmil
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
4XTU
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BU of 4xtu by Molmil
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
4WF2
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BU of 4wf2 by Molmil
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
4OP0
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BU of 4op0 by Molmil
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
3RUX
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BU of 3rux by Molmil
Crystal structure of biotin-protein ligase BirA from Mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor
Descriptor: 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, BirA bifunctional protein
Authors:Geders, T.W, Finzel, B.C.
Deposit date:2011-05-05
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bisubstrate Adenylation Inhibitors of Biotin Protein Ligase from Mycobacterium tuberculosis.
Chem.Biol., 18, 2011
3L2Z
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BU of 3l2z by Molmil
Crystal structure of hydrated Biotin Protein Ligase from M. tuberculosis
Descriptor: BirA bifunctional protein
Authors:Gupta, V, Gupta, R.K, Khare, G, Salunke, D.M, Tyagi, A.K.
Deposit date:2009-12-16
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural ordering of disordered ligand-binding loops of biotin protein ligase into active conformations as a consequence of dehydration.
Plos One, 5, 2010
3L1A
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BU of 3l1a by Molmil
Structural ordering of disordered ligand binding loops of biotin protein ligase into active conformations as a consequence of dehydration
Descriptor: BirA bifunctional protein
Authors:Gupta, V.
Deposit date:2009-12-11
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural ordering of disordered ligand-binding loops of biotin protein ligase into active conformations as a consequence of dehydration.
Plos One, 5, 2010
3FJP
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BU of 3fjp by Molmil
Apo structure of Biotin protein ligase from Aquifex aeolicus
Descriptor: Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
Authors:McNae, I.W, Tron, C.M, Baxter, R.L, Walkinshaw, M.D, Campopiano, D.J.
Deposit date:2008-12-15
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
3EFS
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BU of 3efs by Molmil
Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, ...
Authors:Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
Deposit date:2008-09-10
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
3EFR
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BU of 3efr by Molmil
Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin
Descriptor: BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
Authors:Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
Deposit date:2008-09-10
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
2ZGW
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BU of 2zgw by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with Adenosine and Biotin, Mutations R48A and K111A
Descriptor: ADENOSINE, BIOTIN, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Matsuura, Y, Bagautdinova, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-01-28
Release date:2008-02-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate
J.Biol.Chem., 283, 2008
2HNI
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BU of 2hni by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3, K111A mutation
Descriptor: 235aa long hypothetical biotin-[acetyl-CoA-carboxylase] ligase, ACETIC ACID
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-13
Release date:2007-01-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3
To be Published

 

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