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1UPW
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BU of 1upw 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 (2.4 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
1IKJ
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BU of 1ikj by Molmil
1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE
Descriptor: IMIDAZOLE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roberts, S.A, Weichsel, A, Qui, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R.
Deposit date:2001-05-03
Release date:2001-10-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
2HEO
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BU of 2heo by Molmil
General Structure-Based Approach to the Design of Protein Ligands: Application to the Design of Kv1.2 Potassium Channel Blockers.
Descriptor: 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Z-DNA binding protein 1
Authors:Magis, C, Gasparini, S, Charbonnier, J.B, Stura, E, Le Du, M.H, Menez, A, Cuniasse, P.
Deposit date:2006-06-21
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based secondary structure-independent approach to design protein ligands: Application to the design of Kv1.2 potassium channel blockers.
J.Am.Chem.Soc., 128, 2006
252L
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BU of 252l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-10-28
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
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
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
1U88
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BU of 1u88 by Molmil
Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With S-Octyl Glutathione
Descriptor: Glutathione S-transferase 26 kDa, L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE
Authors:Smith, A.W, Camara-Artigas, A.
Deposit date:2004-08-05
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallographic and Thermodynamic Analysis of the Binding of S-Octylglutathione to the Tyr 7 to Phe Mutant of Glutathione S-Transferase from Schistosoma japonicum(,)
Biochemistry, 44, 2005
5E4K
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BU of 5e4k by Molmil
Structure of ligand binding region of uPARAP at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, C-type mannose receptor 2, ...
Authors:Yuan, C, Huang, M.
Deposit date:2015-10-06
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
3PBA
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BU of 3pba by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA)
Descriptor: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-10-20
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Novel Ligands of ER{alpha}, Er{beta}, and PPAR{gamma}: The Case of Halogenated Bisphenol A and Their Conjugated Metabolites.
Toxicol Sci, 122, 2011
1UMI
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BU of 1umi by Molmil
Structural basis of sugar-recognizing ubiquitin ligase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, F-box only protein 2
Authors:Mizushima, T, Hirao, T, Yoshida, Y, Lee, S.J, Chiba, T, Iwai, K, Yamaguchi, Y, Kato, K, Tsukihara, T, Tanaka, K.
Deposit date:2003-10-01
Release date:2004-04-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of sugar-recognizing ubiquitin ligase.
Nat.Struct.Mol.Biol., 11, 2004
5IDH
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BU of 5idh by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
Descriptor: 8-bromooctanoic acid, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-24
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
To Be Published
5ICH
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BU of 5ich by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
Descriptor: 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-23
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
to be published
5EW6
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BU of 5ew6 by Molmil
Structure of ligand binding region of uPARAP at pH 7.4 without calcium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type mannose receptor 2, ...
Authors:Yuan, C, Huang, M.
Deposit date:2015-11-20
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding
Biochem.J., 473, 2016
187L
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BU of 187l 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, PARA-XYLENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
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
185L
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BU of 185l 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, INDOLE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
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
7AA1
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BU of 7aa1 by Molmil
Structural comparison of cellular retinoic acid binding proteins I and II in the presence and absence of natural and synthetic ligands
Descriptor: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2
Authors:Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
7A9Z
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BU of 7a9z by Molmil
Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands
Descriptor: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 1
Authors:Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
7AA0
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BU of 7aa0 by Molmil
Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands
Descriptor: (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid, Cellular retinoic acid-binding protein 2
Authors:Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
7A9Y
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BU of 7a9y by Molmil
Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands
Descriptor: Cellular retinoic acid-binding protein 1, GLYCEROL, MYRISTIC ACID, ...
Authors:Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
5LG7
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BU of 5lg7 by Molmil
Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-06
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
4CA1
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BU of 4ca1 by Molmil
Crystal structure of Siah1 at 1.58 A resolution.
Descriptor: CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, GLYCEROL, ...
Authors:Rimsa, V, Eadsforth, T.C, Hunter, W.N.
Deposit date:2013-10-04
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
5LG0
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BU of 5lg0 by Molmil
Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain.
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
6E9A
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BU of 6e9a by Molmil
HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND
Descriptor: (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2018-07-31
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.
J. Med. Chem., 61, 2018
1W8L
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BU of 1w8l by Molmil
Enzymatic and structural characterization of non peptide ligand cyclophilin complexes
Descriptor: (3R)-1-ACETYL-3-METHYLPIPERIDINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Kontopidis, G, Taylor, P, Walkinshaw, M.
Deposit date:2004-09-23
Release date:2004-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
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

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数据于2024-07-24公开中

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