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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
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
5N1I
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BU of 5n1i by Molmil
unliganded form of the Mycobacterium tuberculosis repressor EthR2
Descriptor: Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2017-02-06
Release date:2017-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
6ZA0
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BU of 6za0 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum (P21212 space group)
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6ZA3
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BU of 6za3 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (C2221 space group)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6KCR
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BU of 6kcr by Molmil
X-ray structure of the MtlR-HPr complex from Escherichia coli
Descriptor: Mannitol operon repressor, Phosphocarrier protein HPr
Authors:Choe, M, Woo, J.S, Seok, Y.J.
Deposit date:2019-06-28
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insight into glucose repression of the mannitol operon.
Sci Rep, 9, 2019
3JSP
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BU of 3jsp by Molmil
Classic Protein With a New Twist: crystal structure of a LexA repressor DNA complex
Descriptor: DNA (5'-D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*GP*CP*GP*CP*AP*TP*AP*CP*AP*GP*TP*A)-3'), LexA repressor
Authors:Zhang, A.P.P, Pigli, Y.Z, Rice, P.A.
Deposit date:2009-09-10
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the LexA-DNA complex and implications for SOS box measurement.
Nature, 466, 2010
6ZA7
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BU of 6za7 by Molmil
Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6ZAB
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BU of 6zab by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group)
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Naretto, A, Vigouroux, A, Legrand, P.
Deposit date:2020-06-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
2OVM
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BU of 2ovm by Molmil
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR
Descriptor: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor
Authors:Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
Deposit date:2007-02-14
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
2OVH
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BU of 2ovh by Molmil
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT
Descriptor: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide
Authors:Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
Deposit date:2007-02-13
Release date:2007-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
5H9T
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BU of 5h9t by Molmil
Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
Descriptor: NalD
Authors:Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
Deposit date:2015-12-29
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Mol. Microbiol., 100, 2016
8D8I
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BU of 8d8i by Molmil
Crystal structure of Reverb alpha in complex with synthetic agonist
Descriptor: (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1
Authors:Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T.
Deposit date:2022-06-08
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB.
Nat Commun, 13, 2022
7B24
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BU of 7b24 by Molmil
DtxR-like iron-dependent regulator IdeR (P39G variant) complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B1Y
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BU of 7b1y by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B23
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BU of 7b23 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and the SACE_2689 promoter DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, SACE_2689 promoter DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B20
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BU of 7b20 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with iron and its consensus DNA-binding sequence
Descriptor: DtxR family iron (Metal) dependent repressor, FE (II) ION, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B1V
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BU of 7b1v by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B25
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BU of 7b25 by Molmil
DtxR-like iron-dependent regulator IdeR (Q43A variant) complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
6HOE
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BU of 6hoe by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44850
Descriptor: HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOB
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BU of 6hob by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831
Descriptor: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HNZ
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BU of 6hnz by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231
Descriptor: 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO9
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BU of 6ho9 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825
Descriptor: 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
2IPZ
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BU of 2ipz by Molmil
A Parallel Coiled-Coil Tetramer with Offset Helices
Descriptor: GLYCEROL, General control protein GCN4, ISOPROPYL ALCOHOL
Authors:Liu, J, Lu, M.
Deposit date:2006-10-12
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Parallel Coiled-Coil Tetramer with Offset Helices.
Biochemistry, 45, 2006
6HNX
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BU of 6hnx by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018

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