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6VT6
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Naegleria gruberi RNA ligase K170A 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 (1.969 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
6VTG
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BU of 6vtg by Molmil
Naegleria gruberi RNA ligase E227A 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 (2.49 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
4CC5
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BU of 4cc5 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, 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 (1.88 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
3UQ8
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BU of 3uq8 by Molmil
Structure of adenylation domain of Haemophilus influenzae DNA ligases bound to NAD+ in adenylated state.
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lahiri, S.D.
Deposit date:2011-11-19
Release date:2012-01-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure Guided Understanding of NAD(+) Recognition in Bacterial DNA Ligases.
Acs Chem.Biol., 7, 2012
2E1H
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BU of 2e1h by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3, K111G mutation
Descriptor: 235aa long hypothetical biotin-[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-10-25
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
To be Published
2DJZ
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BU of 2djz by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in complex with Biotinyl-5'-AMP, K111A mutation
Descriptor: 235aa long hypothetical biotin-[acetyl-CoA-carboxylase] ligase, BIOTINYL-5-AMP
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-06
Release date:2006-10-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3
To be Published
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
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Descriptor: D-alanine-D-alanine ligase
Authors:Wu, D, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-05-10
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
Authors:Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
Deposit date:2015-03-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5BSW
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BU of 5bsw by Molmil
Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5YWR
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BU of 5ywr by Molmil
Crystal Structure of RING E3 ligase ZNRF1 in complex with Ube2N (Ubc13)
Descriptor: E3 ubiquitin-protein ligase ZNRF1, FORMIC ACID, TRIETHYLENE GLYCOL, ...
Authors:Behera, A.P, Naskar, P, Datta, A.B.
Deposit date:2017-11-30
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural insights into the nanomolar affinity of RING E3 ligase ZNRF1 for Ube2N and its functional implications.
Biochem. J., 475, 2018
3R5X
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BU of 3r5x by Molmil
Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis complexed with ATP
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kim, Y, Mulligan, R, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-03-20
Release date:2011-04-06
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis complexed with ATP
To be Published
8ORJ
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BU of 8orj by Molmil
Cryo-EM structure of human tRNA ligase RTCB in complex with human PYROXD1.
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Loeff, L, Kroupova, A, Asanovic, I, Boneberg, F, Pfleiderer, M.M, Ferdigg, A, Ackle, F, Martinez, J, Jinek, M.
Deposit date:2023-04-14
Release date:2024-10-30
Last modified:2025-05-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanistic basis for PYROXD1-mediated protection of the human tRNA ligase complex against oxidative inactivation.
Nat.Struct.Mol.Biol., 2025
5BSR
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BU of 5bsr by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with adenosine monophosphate and Coenzyme A
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSV
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BU of 5bsv by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSM
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BU of 5bsm by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSU
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BU of 5bsu by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with caffeoyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine, GLYCEROL, ...
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BST
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BU of 5bst by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with coumaroyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
6L2C
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BU of 6l2c by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA
Descriptor: Acetyl-CoA-acetyltransferase, putative, COENZYME A
Authors:Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
Deposit date:2019-10-03
Release date:2020-02-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
1V9P
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BU of 1v9p by Molmil
Crystal Structure Of Nad+-Dependent DNA Ligase
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase, ZINC ION
Authors:Lee, J.Y, Chang, C, Song, H.K, Moon, J, Yang, J.K, Kim, H.K, Kwon, S.K, Suh, S.W.
Deposit date:2004-01-27
Release date:2004-03-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of NAD(+)-dependent DNA ligase: modular architecture and functional implications.
Embo J., 19, 2000
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:2025-03-26
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
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
5LID
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BU of 5lid by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromopromazine
Descriptor: Cys-loop ligand-gated ion channel, bromopromazine
Authors:Nys, M, Wijckmans, E, Farinha, A, Brams, M, Spurny, R, Ulens, C.
Deposit date:2016-07-14
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Allosteric binding site in a Cys-loop receptor ligand-binding domain unveiled in the crystal structure of ELIC in complex with chlorpromazine.
Proc.Natl.Acad.Sci.USA, 113, 2016

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数据于2025-07-09公开中

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