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6HE2
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BU of 6he2 by Molmil
Crystal structure of an open conformation of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA
Descriptor: 2-hydroxyisobutyryl-CoA synthetase, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
Authors:Zahn, M, Rohwerder, T, Strater, N.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
4A0C
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BU of 4a0c by Molmil
Structure of the CAND1-CUL4B-RBX1 complex
Descriptor: CULLIN-4B, CULLIN-ASSOCIATED NEDD8-DISSOCIATED PROTEIN 1, E3 UBIQUITIN-PROTEIN LIGASE RBX1, ...
Authors:Scrima, A, Fischer, E.S, Faty, M, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
7R70
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BU of 7r70 by Molmil
Crystal Structure of the UbArk2C fusion protein
Descriptor: GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION
Authors:Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
Deposit date:2021-06-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
7KDN
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BU of 7kdn by Molmil
Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
Descriptor: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
to be published
6HDX
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BU of 6hdx by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with R3-HIB-AMP
Descriptor: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate
Authors:Zahn, M, Rohwerder, T, Strater, N.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
4UET
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BU of 4uet by Molmil
Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus
Descriptor: NEMATODE FATTY ACID RETINOID BINDING PROTEIN
Authors:Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K.
Deposit date:2014-12-18
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus.
Biochem.J., 471, 2015
1VWL
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BU of 1vwl by Molmil
STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 3.5, I222 COMPLEX
Descriptor: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
3L2O
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BU of 3l2o by Molmil
Structure-Based Mechanism of Dimerization-Dependent Ubiquitination by the SCFFbx4 Ubiquitin Ligase
Descriptor: F-box only protein 4, S-phase kinase-associated protein 1
Authors:Li, Y, Hao, B.
Deposit date:2009-12-15
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of dimerization-dependent ubiquitination by the SCF(Fbx4) ubiquitin ligase.
J.Biol.Chem., 285, 2010
4EGP
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BU of 4egp by Molmil
The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
5LG3
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BU of 5lg3 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with chlorpromazine
Descriptor: 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Nys, M, Wijckmans, E, Farinha, A, Brams, M, Spurny, R, Ulens, C.
Deposit date:2016-07-05
Release date:2016-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.567 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
4EGM
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BU of 4egm by Molmil
The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
Deposit date:2012-03-31
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
1CCJ
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BU of 1ccj by Molmil
CONFORMER SELECTION BY LIGAND BINDING OBSERVED WITH PROTEIN CRYSTALLOGRAPHY
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cao, Y, Musah, R.A, Wilcox, S.K, Goodin, D.B, Mcree, D.E.
Deposit date:1997-01-22
Release date:1997-07-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein conformer selection by ligand binding observed with crystallography.
Protein Sci., 7, 1998
3QJM
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BU of 3qjm by Molmil
Structural flexibility of Shank PDZ domain is important for its binding to different ligands
Descriptor: Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1
Authors:Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H.
Deposit date:2011-01-30
Release date:2011-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands
Biochem.Biophys.Res.Commun., 407, 2011
7XYY
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BU of 7xyy by Molmil
TRIM E3 ubiquitin ligase WT
Descriptor: Tripartite motif-containing protein 72, ZINC ION
Authors:Park, S.H, Song, H.K.
Deposit date:2022-06-02
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (7.1 Å)
Cite:Structure and activation of the RING E3 ubiquitin ligase TRIM72 on the membrane.
Nat.Struct.Mol.Biol., 30, 2023
7XZ1
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BU of 7xz1 by Molmil
TRIM E3 ubiquitin ligase
Descriptor: Tripartite motif-containing protein 72, ZINC ION
Authors:Park, S.H, Song, H.K.
Deposit date:2022-06-02
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Structure and activation of the RING E3 ubiquitin ligase TRIM72 on the membrane.
Nat.Struct.Mol.Biol., 30, 2023
4M8H
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BU of 4m8h by Molmil
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1
Descriptor: (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-08-13
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
1AT1
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BU of 1at1 by Molmil
CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, ...
Authors:Gouaux, J.E, Lipscomb, W.N.
Deposit date:1989-09-22
Release date:1990-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of phosphonoacetamide ligated T and phosphonoacetamide and malonate ligated R states of aspartate carbamoyltransferase at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
4F52
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BU of 4f52 by Molmil
Structure of a Glomulin-RBX1-CUL1 complex
Descriptor: Cullin-1, E3 ubiquitin-protein ligase RBX1, Glomulin, ...
Authors:Duda, D.M, Olszewski, J.L, Schulman, B.A.
Deposit date:2012-05-11
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a Glomulin-RBX1-CUL1 Complex: Inhibition of a RING E3 Ligase through Masking of Its E2-Binding Surface.
Mol.Cell, 47, 2012
2PZD
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BU of 2pzd by Molmil
Crystal Structure of the HtrA2/Omi PDZ Domain Bound to a Phage-Derived Ligand (WTMFWV)
Descriptor: 1,2-ETHANEDIOL, Serine protease HTRA2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-05-17
Release date:2007-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional analysis of the ligand specificity of the HtrA2/Omi PDZ domain.
Protein Sci., 16, 2007
1P20
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BU of 1p20 by Molmil
Surprising Roles of Electrostatic Interactions in DNA-Ligand Complexes
Descriptor: 5'-D(*CP*GP*AP*TP*CP*G)-3', DOXORUBICIN, THALLIUM (I) ION
Authors:Howerton, S.B, Nagpal, A, Williams, L.D.
Deposit date:2003-04-14
Release date:2003-05-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Surprising Roles of Electrostatic Interactions in DNA-Ligand Complexes
Biopolymers, 69, 2003
4M8E
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BU of 4m8e by Molmil
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1
Descriptor: (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Smith, C.D, Muccio, D.D.
Deposit date:2013-08-13
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Bioorg.Med.Chem., 22, 2014
3QJN
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BU of 3qjn by Molmil
Structural flexibility of Shank PDZ domain is important for its binding to different ligands
Descriptor: Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1
Authors:Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H.
Deposit date:2011-01-30
Release date:2011-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands
Biochem.Biophys.Res.Commun., 407, 2011
1FRV
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BU of 1frv by Molmil
CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE
Descriptor: FE3-S4 CLUSTER, HYDRATED FE, HYDROGENASE, ...
Authors:Volbeda, A, Frey, M, Fontecilla-Camps, J.C.
Deposit date:1996-03-28
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the nickel-iron hydrogenase from Desulfovibrio gigas.
Nature, 373, 1995
3O6B
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BU of 3o6b by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) low resolution
Descriptor: Cell division control protein 53, Defective in cullin neddylation protein 1
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-28
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3O2P
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BU of 3o2p by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB)
Descriptor: Cell division control protein 53, Defective in cullin neddylation protein 1, GLYCEROL
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010

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