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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
6N0V
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BU of 6n0v by Molmil
tRNA ligase
Descriptor: MANGANESE (II) ION, tRNA ligase
Authors:Banerjee, A, Goldgur, Y, Shuman, S.
Deposit date:2018-11-07
Release date:2019-01-09
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
1NWI
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BU of 1nwi by Molmil
Crystal structure of CO-HbI transformed to an unligated state
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, globin I
Authors:Knapp, J.E, Royer JR, W.E.
Deposit date:2003-02-06
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-linked structural transitions in crystals of a cooperative dimeric hemoglobin.
Biochemistry, 42, 2003
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
4EQ5
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BU of 4eq5 by Molmil
DNA ligase from the archaeon Thermococcus sibiricus
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase
Authors:Petrova, T, Bezsudnova, E.Y, Dorokhov, B.D, Slutskaya, E.S, Polyakov, K.M, Dorovatovskiy, P.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O.
Deposit date:2012-04-18
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Expression, purification, crystallization and preliminary crystallographic analysis of a thermostable DNA ligase from the archaeon Thermococcus sibiricus.
Acta Crystallogr.,Sect.F, 68, 2012
1P3D
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BU of 1p3d by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ...
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-17
Release date:2003-07-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
7LFQ
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BU of 7lfq by Molmil
Pyrococcus RNA ligase
Descriptor: DNA (5'-D(*AP*TP*GP*TP*CP*C)-3'), POTASSIUM ION, RNA-splicing ligase RtcB, ...
Authors:Goldgur, Y, Shuman, S, Banerjee, A.
Deposit date:2021-01-18
Release date:2021-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of 3'-PO 4 /5'-OH RNA ligase RtcB in complex with a 5'-OH oligonucleotide.
Rna, 27, 2021
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5WFY
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BU of 5wfy by Molmil
Crystal structure of DNA-binding domain of the bacteriophage T4 ligase
Descriptor: DNA ligase, GLYCEROL
Authors:Shi, K, Aihara, H.
Deposit date:2017-07-13
Release date:2018-09-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 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
7BVB
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BU of 7bvb by Molmil
Crystal structure of UDP-N-acetylmuramic Acid L-alanine ligase (MurC) from Mycobacterium bovis in complex with UDP-N-acetylglucosamine
Descriptor: UDP-N-acetylmuramate--L-alanine ligase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, ZINC ION
Authors:Seo, P.W, Kim, J.S.
Deposit date:2020-04-10
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:Crystal structures of UDP-N-acetylmuramic acid L-alanine ligase (MurC) from Mycobacterium bovis with and without UDP-N-acetylglucosamine.
Acta Crystallogr D Struct Biol, 77, 2021
3PBK
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BU of 3pbk by Molmil
Structural and Functional Studies of Fatty Acyl-Adenylate Ligases from E. coli and L. pneumophila
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Fatty Acyl-Adenylate Ligase
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
6D3N
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BU of 6d3n by Molmil
Crystal structure of h4-1BB ligand
Descriptor: GLYCEROL, Tumor necrosis factor ligand superfamily member 9
Authors:Aruna, B, Zajonc, D.M, Doukov, T.
Deposit date:2018-04-16
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
7BVA
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BU of 7bva by Molmil
Crystal structure of UDP-N-acetylmuramic Acid L-alanine ligase (MurC) from Mycobacterium bovis
Descriptor: UDP-N-acetylmuramate--L-alanine ligase, ZINC ION
Authors:Seo, P.W, Kim, J.S.
Deposit date:2020-04-10
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal structures of UDP-N-acetylmuramic acid L-alanine ligase (MurC) from Mycobacterium bovis with and without UDP-N-acetylglucosamine.
Acta Crystallogr D Struct Biol, 77, 2021
4CC6
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BU of 4cc6 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION
Authors:Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
Deposit date:2013-10-18
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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
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
2ZBS
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BU of 2zbs by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain apo form
Descriptor: Estrogen-related receptor gamma
Authors:Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
Deposit date:2007-10-27
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
3NG5
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BU of 3ng5 by Molmil
Crystal Structure of V30M transthyretin complexed with (-)-epigallocatechin gallate (EGCG)
Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, GLYCEROL, Transthyretin
Authors:Miyata, M, Nakamura, T, Ikemizu, S, Chirifu, M, Yamagata, Y, Kai, H.
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of green tea polyphenol(-)-epigallocatechin gallate (EGCG)-transthyretin complex reveals novel binding site distinct from thyroxine binding site
Biochemistry, 2010
6KSD
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BU of 6ksd by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 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
6KRH
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BU of 6krh by Molmil
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:2019-08-21
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 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
6KSC
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BU of 6ksc by Molmil
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, DNA ligase A, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-08-23
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 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
4DWQ
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BU of 4dwq by Molmil
RNA ligase RtcB-GMP/Mn(2+) complex
Descriptor: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ...
Authors:Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J.
Deposit date:2012-02-26
Release date:2012-09-05
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
6VT4
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BU of 6vt4 by Molmil
Naegleria gruberi RNA ligase R149A mutant apo
Descriptor: RNA Ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTE
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BU of 6vte by Molmil
Naegleria gruberi RNA Ligase K170M mutant with AMP and Mn
Descriptor: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VTD
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BU of 6vtd by Molmil
Naegleria gruberi RNA ligase R149A mutant with ATP and Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
6VT3
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BU of 6vt3 by Molmil
Naegleria gruberi RNA ligase K326A mutant apo
Descriptor: RNA Ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020

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