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6U1I
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BU of 6u1i by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
Authors:Pederick, J.L, Bruning, J.B, Thompson, A.P.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
7OD1
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BU of 7od1 by Molmil
Crystal structure of RBR ubiquitin ligase ARIH2
Descriptor: E3 ubiquitin-protein ligase ARIH2, ZINC ION
Authors:Kostrhon, S.P, Prabu, J.R, Schulman, B.A.
Deposit date:2021-04-28
Release date:2021-09-15
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
7NBI
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BU of 7nbi by Molmil
Crystal structure of a monomeric FLT3 Ligand variant
Descriptor: Fms-related tyrosine kinase 3 ligand, SULFATE ION
Authors:Pannecoucke, E, Raes, L, Savvides, S.N.
Deposit date:2021-01-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineering and crystal structure of a monomeric FLT3 ligand variant.
Acta Crystallogr.,Sect.F, 77, 2021
4UYM
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BU of 4uym by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
Descriptor: 14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2014-09-02
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
4E51
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BU of 4e51 by Molmil
Crystal structure of a histidyl-tRNA synthetase HisRS from Burkholderia thailandensis bound to histidine
Descriptor: HISTIDINE, Histidine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-13
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
3N84
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Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
4US8
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BU of 4us8 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2014-07-03
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
5IDA
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BU of 5ida by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN)
Descriptor: Natterin-3, beta-D-mannopyranose
Authors:Unno, H.
Deposit date:2016-02-24
Release date:2016-06-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Sci Rep, 6, 2016
5IDB
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BU of 5idb by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN2)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Natterin-3, alpha-D-mannopyranose, ...
Authors:Unno, H.
Deposit date:2016-02-24
Release date:2016-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas.
Sci Rep, 6, 2016
4US9
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BU of 4us9 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3- phenylpropionaldehyde
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 3-PHENYLPROPANAL, ALDEHYDE OXIDOREDUCTASE, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2014-07-03
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
7P3B
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BU of 7p3b by Molmil
Human RNA ligase RTCB in complex with GMP and Co(II)
Descriptor: ACETATE ION, COBALT (II) ION, FORMIC ACID, ...
Authors:Kroupova, A, Ackle, F, Jinek, M.
Deposit date:2021-07-07
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
8RHZ
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BU of 8rhz by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION
Authors:Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2023-12-17
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
5WWX
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BU of 5wwx by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
2Q8O
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BU of 2q8o by Molmil
crystal structure of mouse GITR ligand dimer
Descriptor: GITR ligand
Authors:Zhaocai, Z, Yukiko, T.
Deposit date:2007-06-11
Release date:2007-12-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for ligand-mediated mouse GITR activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6U19
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BU of 6u19 by Molmil
Solution Structure of the RAZUL domain from 26S proteasome subunit hRpn10/S5a complexed with the AZUL domain from E3 ligase E6AP/UBE3A
Descriptor: 26S proteasome non-ATPase regulatory subunit 4, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Chen, X, Walters, K.J.
Deposit date:2019-08-15
Release date:2020-03-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of E3 ligase E6AP with a proteasome-binding site provided by substrate receptor hRpn10.
Nat Commun, 11, 2020
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
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
6VT8
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BU of 6vt8 by Molmil
Naegleria gruberi RNA ligase E312A 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 (1.998 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
6VT1
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BU of 6vt1 by Molmil
Naegleria gruberi RNA ligase D172A mutant apo
Descriptor: ADENOSINE MONOPHOSPHATE, 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 (2.381 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
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
6VT5
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BU of 6vt5 by Molmil
Naegleria gruberi RNA ligase R4a K121A 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 (1.8 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
6VTF
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BU of 6vtf by Molmil
Naegleria gruberi RNA ligase with PPi
Descriptor: PYROPHOSPHATE 2-, 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 (2.71 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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