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6U1J
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BU of 6u1j by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, D-ala-D-ala, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase, ...
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 (2.2 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
6U1F
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BU of 6u1f by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
Authors:Pederick, J.L, Bruning, J.B.
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
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
3N84
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BU of 3n84 by Molmil
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
6VT9
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BU of 6vt9 by Molmil
Naegleria gruberi RNA ligase E227A 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 (2.49 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
6VT0
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BU of 6vt0 by Molmil
Naegleria gruberi RNA ligase K170A 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 (2.002 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
6VTB
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BU of 6vtb by Molmil
Naegleria gruberi RNA ligase K326A 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 (1.547 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
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
7OBN
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BU of 7obn by Molmil
Structural investigations of a new L3 DNA ligase: structure-function analysis
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ...
Authors:Leiros, H.-K.S, Williamson, A.
Deposit date:2021-04-23
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase.
Sci Rep, 11, 2021
5UQR
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Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus
Descriptor: 2-methylcitrate synthase, mitochondrial, OXALOACETATE ION, ...
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-08
Release date:2018-03-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
2RCJ
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BU of 2rcj by Molmil
Solution structure of human Immunoglobulin M
Descriptor: IgA1 heavy chain, IgA1 light chain, J chain
Authors:Perkins, S.J, Nealis, A.S, Sutton, B.J, Feinstein, A.
Deposit date:2007-09-20
Release date:2008-01-22
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Solution structure of human and mouse immunoglobulin M by synchrotron X-ray scattering and molecular graphics modelling. A possible mechanism for complement activation.
J.Mol.Biol., 221, 1991
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
1Z16
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BU of 1z16 by Molmil
Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein with bound leucine
Descriptor: CADMIUM ION, LEUCINE, Leu/Ile/Val-binding protein
Authors:Trakhanov, S.D, Vyas, N.K, Kristensen, D.M, Ma, J, Quiocho, F.A.
Deposit date:2005-03-03
Release date:2005-10-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Ligand-free and -bound structures of the binding protein (LivJ) of the Escherichia coli ABC leucine/isoleucine/valine transport system: trajectory and dynamics of the interdomain rotation and ligand specificity.
Biochemistry, 44, 2005
5UQU
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BU of 5uqu by Molmil
Crystal structure of mutant 2-methylcitrate synthase (mcsAG352A) from Aspergillus fumigatus
Descriptor: 2-methylcitrate synthase, mitochondrial, COENZYME A, ...
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-08
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
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
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
8Q7H
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BU of 8q7h by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ...
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 2024
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:2024-04-24
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., 2024
8Q7E
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BU of 8q7e by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex - hexameric assembly
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 2024
1Z18
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BU of 1z18 by Molmil
Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein with bound valine
Descriptor: CADMIUM ION, Leu/Ile/Val-binding protein, VALINE
Authors:Trakhanov, S.D, Vyas, N.K, Kristensen, D.M, Ma, J, Quiocho, F.A.
Deposit date:2005-03-03
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-free and -bound structures of the binding protein (LivJ) of the Escherichia coli ABC leucine/isoleucine/valine transport system: trajectory and dynamics of the interdomain rotation and ligand specificity.
Biochemistry, 44, 2005
1Z15
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BU of 1z15 by Molmil
Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein in superopen form
Descriptor: Leu/Ile/Val-binding protein
Authors:Trakhanov, S.D, Vyas, N.K, Kristensen, D.M, Ma, J, Quiocho, F.A.
Deposit date:2005-03-03
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand-free and -bound structures of the binding protein (LivJ) of the Escherichia coli ABC leucine/isoleucine/valine transport system: trajectory and dynamics of the interdomain rotation and ligand specificity.
Biochemistry, 44, 2005
5UQQ
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BU of 5uqq by Molmil
Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus
Descriptor: 2-methylcitrate synthase, mitochondrial, S,R MESO-TARTARIC ACID
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-08
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
4R9M
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BU of 4r9m by Molmil
Crystal structure of spermidine N-acetyltransferase from Escherichia coli
Descriptor: MAGNESIUM ION, Spermidine N(1)-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-09-05
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
6SAL
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BU of 6sal by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma
Authors:de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L.
Deposit date:2019-07-17
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists.
J.Med.Chem., 63, 2020

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