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4S3O
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BU of 4s3o by Molmil
PCGF5-RING1B-UbcH5c complex
Descriptor: E3 ubiquitin-protein ligase RING2, Polycomb group RING finger protein 5, Ubiquitin-conjugating enzyme E2 D3, ...
Authors:Taherbhoy, A.M, Cochran, A.G.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:BMI1-RING1B is an autoinhibited RING E3 ubiquitin ligase.
Nat Commun, 6, 2015
6G4Q
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BU of 6g4q by Molmil
Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
Descriptor: 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ...
Authors:Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2018-03-28
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
3S8N
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BU of 3s8n by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
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
6HDW
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BU of 6hdw by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP
Descriptor: 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-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 (2.3 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
6HDY
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BU of 6hdy by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with S3-HB-AMP
Descriptor: (3S)-3-HYDROXYBUTANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, ...
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
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
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
1VDX
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BU of 1vdx by Molmil
Crystal Structure of a Pyrococcus horikoshii protein with similarities to 2'5' RNA-ligase
Descriptor: CHLORIDE ION, Hypothetical protein PH0099
Authors:Rehse, P.H, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-25
Release date:2005-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a putative 2'-5' RNA ligase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 61, 2005
6HE0
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BU of 6he0 by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA in the thioesterfication state
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 (2.31 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
2PNU
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BU of 2pnu by Molmil
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
Descriptor: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
Deposit date:2007-04-25
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
2REJ
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BU of 2rej by Molmil
ABC-transporter choline binding protein in unliganded semi-closed conformation
Descriptor: PUTATIVE GLYCINE BETAINE ABC TRANSPORTER PROTEIN
Authors:Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
Deposit date:2007-09-26
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
3S8O
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BU of 3s8o by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, SODIUM ION, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
8CDK
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BU of 8cdk by Molmil
CAND1 b-hairpin++-SCF-SKP2 CAND1 partly engaged SCF partly rocked
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2023-01-31
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
8CDJ
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BU of 8cdj by Molmil
CAND1 b-hairpin++-SCF-SKP2 CAND1 rolling SCF engaged
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2023-01-31
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
3JXT
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BU of 3jxt by Molmil
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
Descriptor: ACETATE ION, Disks large homolog 3, Voltage-dependent calcium channel gamma-2 subunit
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-09-21
Release date:2010-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caged mono- and divalent ligands for light-assisted disruption of PDZ domain-mediated interactions.
J.Am.Chem.Soc., 135, 2013
6VE8
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BU of 6ve8 by Molmil
Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Methionine
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
Authors:Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I.
Deposit date:2019-12-30
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
6VEA
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BU of 6vea by Molmil
Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine
Descriptor: BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ...
Authors:Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I.
Deposit date:2019-12-30
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
6PKE
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BU of 6pke by Molmil
Myocilin OLF mutant N428E/D478S
Descriptor: Myocilin
Authors:Lieberman, R.L, Hill, S.E.
Deposit date:2019-06-29
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
1NHB
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BU of 1nhb by Molmil
Specificity of ligand binding in a buried non-polar cavity of t4 lysozyme: linkage of dynamics and structural plasticity
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PHENYLETHANE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-02-24
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
2RF1
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BU of 2rf1 by Molmil
Crystal structure of ChoX in an unliganded closed conformation
Descriptor: PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
Authors:Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
Deposit date:2007-09-27
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
8EVV
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BU of 8evv by Molmil
Apo form of DdlA from Pseudomonas aeruginosa PAO1
Descriptor: D-alanine--D-alanine ligase A
Authors:Pederick, J.L, Woolman, J.C, Bruning, J.B.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
1UPV
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BU of 1upv by Molmil
Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA
Authors:Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H.
Deposit date:2003-10-13
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
1YCB
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BU of 1ycb by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
1S56
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BU of 1s56 by Molmil
Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Xe Atoms
Descriptor: CYANIDE ION, HEME C, Hemoglobin-like protein HbN, ...
Authors:Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M.
Deposit date:2004-01-20
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Heme-ligand tunneling in group I truncated hemoglobins
J.Biol.Chem., 279, 2004

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