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6PXY
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BU of 6pxy by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-alanine
Descriptor: ALANINE, Putative methyl-accepting chemotaxis protein
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-28
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
3EHZ
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BU of 3ehz by Molmil
X-ray structure of the pentameric ligand gated ion channel of Gloebacter violaceus (GLIC) in a presumptive open conformation
Descriptor: Glr4197 protein
Authors:Hilf, R.J.C, Dutzler, R.
Deposit date:2008-09-15
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a potentially open state of a proton-activated pentameric ligand-gated ion channel
Nature, 457, 2008
4DSO
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BU of 4dso by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU
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BU of 4dsu by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
7T79
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6PY4
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BU of 6py4 by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-leucine
Descriptor: LEUCINE, Putative methyl-accepting chemotaxis protein
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-29
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7ZIY
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BU of 7ziy by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T5)
Descriptor: CALCIUM ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
6V4S
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BU of 6v4s by Molmil
A Closed pore conformation of a Pentameic ligand-gated ion channel with additional N-terminal domain
Descriptor: CALCIUM ION, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Delarue, M, Hu, H.D.
Deposit date:2019-11-29
Release date:2020-06-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PY5
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BU of 6py5 by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-serine
Descriptor: Putative methyl-accepting chemotaxis protein, SERINE
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-29
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
2BU8
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BU of 2bu8 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU2
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BU of 2bu2 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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
2BTZ
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BU of 2btz by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU6
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BU of 2bu6 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
6PYI
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BU of 6pyi by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA
Descriptor: ALANINE, Putative methyl-accepting chemotaxis protein
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-29
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
6Q0F
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BU of 6q0f by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine
Descriptor: CHLORIDE ION, Putative methyl-accepting chemotaxis protein, SODIUM ION, ...
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-08-01
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
7QRX
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BU of 7qrx by Molmil
Crystal structure of NHL domain of TRIM71
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
2F00
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BU of 2f00 by Molmil
Escherichia coli MurC
Descriptor: MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase
Authors:Deva, T, Baker, E.N, Squire, C.J, Smith, C.A.
Deposit date:2005-11-10
Release date:2006-10-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC).
Acta Crystallogr.,Sect.D, 62, 2006
1FBV
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BU of 1fbv by Molmil
STRUCTURE OF A CBL-UBCH7 COMPLEX: RING DOMAIN FUNCTION IN UBIQUITIN-PROTEIN LIGASES
Descriptor: SIGNAL TRANSDUCTION PROTEIN CBL, SULFATE ION, UBIQUITIN-CONJUGATING ENZYME E12-18 KDA UBCH7, ...
Authors:Zheng, N, Wang, P, Jeffrey, P.D, Pavletich, N.P.
Deposit date:2000-07-17
Release date:2000-08-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a c-Cbl-UbcH7 complex: RING domain function in ubiquitin-protein ligases.
Cell(Cambridge,Mass.), 102, 2000
2BU5
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BU of 2bu5 by Molmil
crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
5HEO
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BU of 5heo by Molmil
Pentameric ligand-gated ion channel ELIC mutant P254G
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Bertozzi, C, Dutzler, R.
Deposit date:2016-01-06
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Plos Biol., 14, 2016
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, 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 (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
6SWY
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BU of 6swy by Molmil
Structure of active GID E3 ubiquitin ligase complex minus Gid2 and delta Gid9 RING domain
Descriptor: Glucose-induced degradation protein 8, Protein FYV10,Protein FYV10,Protein FYV10,Protein FYV10,Protein FYV10,Protein FYV10,Protein FYV10, Vacuolar import and degradation protein 24, ...
Authors:Qiao, S, Prabu, J.R, Schulman, B.A.
Deposit date:2019-09-24
Release date:2019-11-20
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Interconversion between Anticipatory and Active GID E3 Ubiquitin Ligase Conformations via Metabolically Driven Substrate Receptor Assembly
Mol.Cell, 77, 2020
4DST
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BU of 4dst by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012

238582

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