1ZAU
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3FJP
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![BU of 3fjp by Molmil](/molmil-images/mine/3fjp) | 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
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8UIQ
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![BU of 8uiq by Molmil](/molmil-images/mine/8uiq) | H47Q NicC with 2-mercaptopyridine ligand | Descriptor: | 2-PYRIDINETHIOL, 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hicks, K.A, Perry, K, Turlington, Z.R, Vaz Ferreira de Macedo, S. | Deposit date: | 2023-10-10 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Ligand bound structure of a 6-hydroxynicotinic acid 3-monooxygenase provides mechanistic insights. Arch.Biochem.Biophys., 752, 2024
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3L2P
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![BU of 3l2p by Molmil](/molmil-images/mine/3l2p) | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ... | Authors: | Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T. | Deposit date: | 2009-12-15 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States. Biochemistry, 49, 2010
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6MKB
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![BU of 6mkb by Molmil](/molmil-images/mine/6mkb) | Crystal structure of murine 4-1BB ligand | Descriptor: | SODIUM ION, SULFATE ION, Tumor necrosis factor ligand superfamily member 9, ... | Authors: | Bitra, A, Zajonc, D.M, Doukov, T. | Deposit date: | 2018-09-25 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the m4-1BB/4-1BBL complex reveals an unusual dimeric ligand that undergoes structural changes upon 4-1BB receptor binding. J. Biol. Chem., 294, 2019
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4POJ
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![BU of 4poj by Molmil](/molmil-images/mine/4poj) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2014-02-25 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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6KJM
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![BU of 6kjm by Molmil](/molmil-images/mine/6kjm) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-07-22 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol., 213, 2021
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6KKV
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6DT1
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![BU of 6dt1 by Molmil](/molmil-images/mine/6dt1) | Crystal structure of the ligase from bacteriophage T4 complexed with DNA intermediate | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2018-06-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | T4 DNA ligase structure reveals a prototypical ATP-dependent ligase with a unique mode of sliding clamp interaction. Nucleic Acids Res., 46, 2018
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4POH
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![BU of 4poh by Molmil](/molmil-images/mine/4poh) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2014-02-25 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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4PP3
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![BU of 4pp3 by Molmil](/molmil-images/mine/4pp3) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2014-02-26 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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4IO6
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4IO4
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![BU of 4io4 by Molmil](/molmil-images/mine/4io4) | Crystal Structure of the AvGluR1 ligand binding domain complex with serine at 1.94 Angstrom resolution | Descriptor: | AvGluR1 ligand binding domain, CHLORIDE ION, GLYCEROL, ... | Authors: | Lomash, S, Chittori, S, Mayer, M.L. | Deposit date: | 2013-01-07 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels. Structure, 21, 2013
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5BSR
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5BSV
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5BSW
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7KR3
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7KR4
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5BSM
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6LL9
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5BST
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4GLX
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![BU of 4glx by Molmil](/molmil-images/mine/4glx) | DNA ligase A in complex with inhibitor | Descriptor: | 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide, DNA (26-MER), DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3'), ... | Authors: | Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A. | Deposit date: | 2012-08-15 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity. Bioorg.Med.Chem.Lett., 22, 2012
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4IO3
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3JSL
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6KDU
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![BU of 6kdu by Molmil](/molmil-images/mine/6kdu) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-07-02 | Release date: | 2020-07-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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