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4XOQ
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BU of 4xoq by Molmil
F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)
Descriptor: COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION
Authors:Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
4XM8
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BU of 4xm8 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: Lethal factor, N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XM7
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BU of 4xm7 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4A97
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BU of 4a97 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with zopiclone
Descriptor: (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate, CYS-LOOP LIGAND-GATED ION CHANNEL
Authors:Spurny, R, Brams, M, Ulens, C.
Deposit date:2011-11-24
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.343 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
4A98
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BU of 4a98 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromoflurazepam
Descriptor: 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, CYS-LOOP LIGAND-GATED ION CHANNEL
Authors:Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C.
Deposit date:2011-11-24
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines.
Proc.Natl.Acad.Sci.USA, 109, 2012
4RLQ
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BU of 4rlq by Molmil
Crystal structure of a benzoate coenzyme A ligase with o-Toluic acid
Descriptor: 2-methylbenzoic acid, Benzoate-coenzyme A ligase, GLYCEROL
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-17
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4RM2
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BU of 4rm2 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Fluoro benzoic acid
Descriptor: 2-fluorobenzoic acid, Benzoate-coenzyme A ligase
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-18
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4RMN
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BU of 4rmn by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Thiophene Carboxylic acid
Descriptor: Benzoate-coenzyme A ligase, GLYCEROL, THIOPHENE-2-CARBOXYLIC ACID
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-21
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4RLF
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BU of 4rlf by Molmil
Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid
Descriptor: 2-methylbenzoic acid, 4-METHYLBENZOIC ACID, Benzoate-coenzyme A ligase, ...
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K, Geiger, J.H.
Deposit date:2014-10-16
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
4TVW
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BU of 4tvw by Molmil
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
4TVY
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BU of 4tvy by Molmil
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
3RQW
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BU of 3rqw by Molmil
Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ...
Authors:Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
Deposit date:2011-04-28
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
7NS4
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BU of 7ns4 by Molmil
Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
5SXV
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BU of 5sxv by Molmil
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, Cys-loop ligand-gated ion channel
Authors:Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P.
Deposit date:2016-08-10
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC.
Structure, 25, 2017
3RQU
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BU of 3rqu by Molmil
Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL
Authors:Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
Deposit date:2011-04-28
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.089 Å)
Cite:Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
4LJQ
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BU of 4ljq by Molmil
Crystal structure of the catalytic core of E3 ligase HOIP
Descriptor: E3 ubiquitin-protein ligase RNF31, ZINC ION
Authors:Stieglitz, B, Rana, R.R, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
2DLN
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BU of 2dln by Molmil
VANCOMYCIN RESISTANCE: STRUCTURE OF D-ALANINE:D-ALANINE LIGASE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID, ADENOSINE-5'-DIPHOSPHATE, D-ALANINE--D-ALANINE LIGASE, ...
Authors:Knox, J.R, Moews, P.C, Fan, C.
Deposit date:1994-07-18
Release date:1995-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Vancomycin resistance: structure of D-alanine:D-alanine ligase at 2.3 A resolution.
Science, 266, 1994
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
1UAG
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BU of 1uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE/:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J, Fanchon, E, Dideberg, O.
Deposit date:1997-03-13
Release date:1998-03-18
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase from Escherichia coli.
EMBO J., 16, 1997
6M2O
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BU of 6m2o by Molmil
Double mutant(H333A/I334A) crystal structure of benzoate coenzyme A ligase
Descriptor: Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020
1QNL
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BU of 1qnl by Molmil
AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH BUTYRAMIDE
Descriptor: ALIPHATIC AMIDASE EXPRESSION-REGULATING PROTEIN, BUTYRAMIDE
Authors:Pearl, L.H, O'Hara, B.P, Roe, S.M.
Deposit date:1999-10-19
Release date:1999-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Adaptation to Selective Pressure for Altered Ligand Specificity in the Pseudomonas Aeruginosa Amide Receptor, Amic
Protein Eng., 13, 2000
4RM3
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BU of 4rm3 by Molmil
Crystal structure of a benzoate coenzyme A ligase with 2-Furoic acid
Descriptor: 2-FUROIC ACID, Benzoate-coenzyme A ligase
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2014-10-18
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
1IK9
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BU of 1ik9 by Molmil
CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX
Descriptor: DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4
Authors:Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L.
Deposit date:2001-05-03
Release date:2001-11-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of an Xrcc4-DNA ligase IV complex.
Nat.Struct.Biol., 8, 2001
6WH1
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BU of 6wh1 by Molmil
Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains
Descriptor: DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant
Authors:Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K.
Deposit date:2020-04-07
Release date:2020-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
Descriptor: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
Authors:Kamadurai, H.B, Miller, D, Schulman, B.A.
Deposit date:2013-06-21
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013

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