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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
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
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
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
3CW9
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BU of 3cw9 by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to 4-chlorophenacyl-CoA
Descriptor: 1,2-ETHANEDIOL, 4-Chlorophenacyl-coenzyme A, 4-chlorobenzoyl CoA ligase, ...
Authors:Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M.
Deposit date:2008-04-21
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase.
Biochemistry, 47, 2008
2E2R
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BU of 2e2r by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A
Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, GLYCEROL
Authors:Matsushima, A, Kakuta, Y, Teramoto, T, Koshiba, T, Kimura, M, Shimohigashi, Y.
Deposit date:2006-11-16
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Evidence for Endocrine Disruptor Bisphenol A Binding to Human Nuclear Receptor ERR{gamma}
J.Biochem.(Tokyo), 142, 2007
4LJO
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BU of 4ljo by Molmil
Structure of an active ligase (HOIP)/ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, IMIDAZOLE, Polyubiquitin-C, ...
Authors:Rana, R.R, Stieglitz, B, 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:2023-09-20
Method:X-RAY DIFFRACTION (1.564 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
3CW8
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BU of 3cw8 by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate
Descriptor: 1,2-ETHANEDIOL, 4-chlorobenzoyl CoA ligase, 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
Authors:Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M.
Deposit date:2008-04-21
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase.
Biochemistry, 47, 2008
2VL0
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BU of 2vl0 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC)
Descriptor: Cys-loop ligand-gated ion channel
Authors:Hilf, R.J.C, Dutzler, R.
Deposit date:2008-01-07
Release date:2008-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:X-Ray Structure of a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nature, 452, 2008
2HVS
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BU of 2hvs by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 2'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVR
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BU of 2hvr by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
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
8BTL
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BU of 8btl by Molmil
Crystal structure of a complex between the E2 conjugating enzyme UBE2A and the E3 ligase module from UBR4
Descriptor: Ubiquitin conjugating enzyme E2 A, ZINC ION, cDNA FLJ12511 fis, ...
Authors:Virdee, S, Mabbitt, P.D, Barnsby-Greer, L.
Deposit date:2022-11-29
Release date:2023-12-13
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:UBE2A and UBE2B are recruited by an atypical E3 ligase module in UBR4.
Nat.Struct.Mol.Biol., 31, 2024
5NF0
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BU of 5nf0 by Molmil
Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYD-TRP-TRD-LYS-LYD-LYS-LYD-LYS-TRD-TRP-CYD-GLY, ...
Authors:Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R.
Deposit date:2017-03-13
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.
Chem Sci, 8, 2017
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
3NI2
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BU of 3ni2 by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
Authors:Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C.
Deposit date:2010-06-14
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
7EKA
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BU of 7eka by Molmil
crystal structure of epigallocatechin binding with alpha-lactalbumin
Descriptor: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin
Authors:Ma, J, Yao, Q, Chen, X, Zang, J.
Deposit date:2021-04-05
Release date:2023-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
4ZJZ
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BU of 4zjz by Molmil
Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP
Descriptor: 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, BENZOIC ACID, Benzoate-coenzyme A ligase, ...
Authors:Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
Deposit date:2015-04-29
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
5HQG
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BU of 5hqg by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2)
Descriptor: E3 ubiquitin-protein ligase RFWD2
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-01-21
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
5IGO
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BU of 5igo by Molmil
WD40 domain of Arabidopsis thaliana E3 Ubiquitin Ligase COP1 in complex with peptide from Trib1
Descriptor: E3 ubiquitin-protein ligase COP1, Tribbles homolog 1
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-02-28
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
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
5IGQ
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BU of 5igq by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2) bound to peptide from Trib1
Descriptor: E3 ubiquitin-protein ligase RFWD2, Tribbles homolog 1
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-02-28
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
4CAW
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BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 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

238582

数据于2025-07-09公开中

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