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8R5C
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BU of 8r5c by Molmil
Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine
Descriptor: (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ...
Authors:Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-11-16
Release date:2024-01-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7.
Acs Chem.Biol., 19, 2024
3S2V
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BU of 3s2v by Molmil
Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
Descriptor: (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2011-05-17
Release date:2011-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
1L5G
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BU of 1l5g by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-03-06
Release date:2002-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
2I1P
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BU of 2i1p by Molmil
Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 2
Authors:Wolf, C.A, Dancea, F, Shi, M, Bade-Noskova, V, Rueterjans, H, Kerjaschki, D, Luecke, C.
Deposit date:2006-08-14
Release date:2007-02-13
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin.
J.Biomol.Nmr, 37, 2007
7QEZ
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BU of 7qez by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the ultrapotent antibody CV2.1169 and CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, CR3022 light chain, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2021-12-03
Release date:2022-05-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
8PD6
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BU of 8pd6 by Molmil
Crystal structure of the TRIM58 PRY-SPRY domain in complex with TRIM-473
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase TRIM58, ...
Authors:Renatus, M, Hoegenauer, K, Schroeder, M.
Deposit date:2023-06-11
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase.
Acs Med.Chem.Lett., 14, 2023
8PD4
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BU of 8pd4 by Molmil
Crystal structure of TRIM58 PRY-SPRY domain
Descriptor: E3 ubiquitin-protein ligase TRIM58
Authors:Renatus, M, Schroeder, M.
Deposit date:2023-06-11
Release date:2024-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.714 Å)
Cite:Discovery of Ligands for TRIM58, a Novel Tissue-Selective E3 Ligase.
Acs Med.Chem.Lett., 14, 2023
1L2J
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BU of 1l2j by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, ESTROGEN RECEPTOR BETA
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
5XUA
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BU of 5xua by Molmil
The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F, Wang, D.C.
Deposit date:2017-06-23
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 2019
2QEJ
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BU of 2qej by Molmil
Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Ramsland, P.A, Willoughby, N, Trist, H.M, Farrugia, W, Hogarth, P.M, Fraser, J.D, Wines, B.D.
Deposit date:2007-06-26
Release date:2007-09-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for evasion of IgA immunity by Staphylococcus aureus revealed in the complex of SSL7 with Fc of human IgA1
Proc.Natl.Acad.Sci.Usa, 104, 2007
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
8R5D
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BU of 8r5d by Molmil
Crystal structure of human TRIM7 PRYSPRY domain
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, MALONIC ACID
Authors:Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-11-16
Release date:2024-01-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7.
Acs Chem.Biol., 19, 2024
6KYP
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BU of 6kyp by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-clofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-09-19
Release date:2020-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L37
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BU of 6l37 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L38
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BU of 6l38 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.761 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
5DGW
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BU of 5dgw by Molmil
Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand
Descriptor: (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Pol protein, ...
Authors:Agniswamy, J, Wang, Y.-F, Weber, I.T.
Deposit date:2015-08-28
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Org.Biomol.Chem., 13, 2015
6LX4
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BU of 6lx4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX9
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BU of 6lx9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding
Descriptor: ARACHIDONIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX5
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BU of 6lx5 by Molmil
X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8R6B
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BU of 8r6b by Molmil
DTX1 WWE domain in complex with ADP bound to WWE2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-11-21
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
6QTN
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BU of 6qtn by Molmil
Tubulin-cyclostreptin complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F.
Deposit date:2019-02-25
Release date:2019-04-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands.
Int J Mol Sci, 20, 2019
1LAH
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BU of 1lah by Molmil
STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN
Descriptor: L-ornithine, LYSINE, ARGININE, ...
Authors:Kim, S.-H, Oh, B.-H.
Deposit date:1993-10-06
Release date:1995-07-10
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for multiple ligand specificity of the periplasmic lysine-, arginine-, ornithine-binding protein.
J.Biol.Chem., 269, 1994
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018

238582

数据于2025-07-09公开中

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