PDB: 98078 resultsInfo pagesStatus searchChemie searchBIRD

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1MCD	PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS Descriptor: Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-D-PHE-B-ALA-L-HIS-D-PRO-NH2 Authors: Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. Deposit date: 1993-02-25 Release date: 1994-01-31 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION Cite: Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
1MCJ	PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS Descriptor: ACETYL GROUP, AMINO GROUP, D-PHENYLALANINE, ... Authors: Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. Deposit date: 1993-02-25 Release date: 1994-01-31 Last modified: 2025-03-26 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
1MCK	PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-GLU-L-HIS-D-PRO-NH2 Authors: Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. Deposit date: 1993-02-25 Release date: 1994-01-31 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
1MCF	PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS Descriptor: Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH Authors: Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. Deposit date: 1993-02-25 Release date: 1994-01-31 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
1IUH	Crystal structure of TT0787 of thermus thermophilus HB8 Descriptor: 2'-5' RNA Ligase Authors: Kato, M, Sakai, H, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2002-03-05 Release date: 2003-06-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the 2'-5' RNA Ligase from Thermus thermophilus HB8 J.MOL.BIOL., 329, 2003
1PBQ	CRYSTAL STRUCTURE OF THE NR1 LIGAND BINDING CORE IN COMPLEX WITH 5,7-DICHLOROKYNURENIC ACID (DCKA) AT 1.90 ANGSTROMS RESOLUTION Descriptor: 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID, N-methyl-D-aspartate Receptor Subunit 1 Authors: Furukawa, H, Gouaux, E. Deposit date: 2003-05-14 Release date: 2003-07-29 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mechanisms of activation, inhibition and specificity: crystal structures of the NMDA receptor NR1 ligand-binding core Embo J., 22, 2003
3OVE	Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, PYAC7CN Authors: Clements, J.H, Martin, S.F. Deposit date: 2010-09-16 Release date: 2011-11-02 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area. J.Am.Chem.Soc., 133, 2011
3S8N	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: 2024-11-06 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
3S8O	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: 2024-11-06 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
3DPL	Structural Insights into NEDD8 Activation of Cullin-RING Ligases: Conformational Control of Conjugation. Descriptor: Cullin-5, RING-box protein 1, ZINC ION Authors: Duda, D.M, Schulman, B.A. Deposit date: 2008-07-08 Release date: 2008-09-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural insights into NEDD8 activation of cullin-RING ligases: conformational control of conjugation. Cell(Cambridge,Mass.), 134, 2008
1MXU	CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) in complex with bromo-willardiine (Control for the crystal titration experiments) Descriptor: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION Authors: Jin, R, Gouaux, E. Deposit date: 2002-10-03 Release date: 2003-06-10 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
3PBA	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
7V8F	Crystal structure of UBE2L3 bound to HOIP RING1 domain. Descriptor: E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION Authors: Liu, J, Wang, Y, Pan, L. Deposit date: 2021-08-22 Release date: 2022-03-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
1NHB	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
1A52	ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL Descriptor: ESTRADIOL, ESTROGEN RECEPTOR, GOLD ION Authors: Tanenbaum, D.M, Wang, Y, Sigler, P.B. Deposit date: 1998-02-19 Release date: 1998-09-16 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystallographic comparison of the estrogen and progesterone receptor's ligand binding domains. Proc.Natl.Acad.Sci.USA, 95, 1998
2XNW	XPT-PBUX C74U RIBOSWITCH FROM B. SUBTILIS BOUND TO A TRIAZOLO- TRIAZOLE-DIAMINE LIGAND IDENTIFIED BY VIRTUAL SCREENING Descriptor: 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium, ACETATE ION, COBALT HEXAMMINE(III), ... Authors: Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Brenk, R. Deposit date: 2010-08-06 Release date: 2011-04-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
9H9T	Crystal structure of NEDD4 HECT domain in complex with covalent inhibitor Descriptor: Isoform 4 of E3 ubiquitin-protein ligase NEDD4, ethyl 4-[4-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butylamino]butanoate Authors: Cecatiello, V, Maspero, E, Polo, S, Pasqualato, S. Deposit date: 2024-10-31 Release date: 2025-06-04 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Structure-based design of potent and selective inhibitors of the HECT ligase NEDD4. Commun Chem, 8, 2025
9IQT	structure of niacin-HCA2-Gi Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... Authors: Liu, Y, Zhou, Z. Deposit date: 2024-07-13 Release date: 2024-10-02 Last modified: 2024-11-13 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors. J.Mol.Biol., 436, 2024
8Z30	Crystal structure of HOIP PUB domain in complex with tolfenamic acid complex Descriptor: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... Authors: Zhong, F, Ruan, K. Deposit date: 2024-04-14 Release date: 2024-11-27 Last modified: 2025-01-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Repurposing Tolfenamic Acid to Anchor the Uncharacterized Pocket of the PUB Domain for Proteolysis of the Atypical E3 Ligase HOIP. Acs Chem.Biol., 19, 2024
8Z36	Crystal structure of HOIP PUB domain in complex with sertraline complex Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, E3 ubiquitin-protein ligase RNF31 Authors: Zhong, F, Ruan, K. Deposit date: 2024-04-14 Release date: 2024-11-27 Last modified: 2025-01-01 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Repurposing Tolfenamic Acid to Anchor the Uncharacterized Pocket of the PUB Domain for Proteolysis of the Atypical E3 Ligase HOIP. Acs Chem.Biol., 19, 2024
7U56	Crystal Structure of D-alanine--D-alanine ligase from Klebsiella pneumoniae subsp. pneumoniae in complex with AMP Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-03-01 Release date: 2022-03-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structure of D-alanine--D-alanine ligase from Klebsiella pneumoniae subsp. pneumoniae in complex with AMP to be published
9H9O	Crystal structure of NEDD4 HECT domain in complex with norclomipramine Descriptor: 1,2-ETHANEDIOL, Isoform 4 of E3 ubiquitin-protein ligase NEDD4, Norclomipramine Authors: Cecatiello, V, Maspero, E. Deposit date: 2024-10-31 Release date: 2025-06-04 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Structure-based design of potent and selective inhibitors of the HECT ligase NEDD4. Commun Chem, 8, 2025
6HCC	STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 1.6 A RESOLUTION. Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), ACETATE ION, CHLORIDE ION, ... Authors: Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. Deposit date: 2018-08-14 Release date: 2019-04-03 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.617 Å) Cite: Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett., 10, 2019
9EQH	WWP2 WW2-2,3-linker-HECT (WWP2-LH) Descriptor: GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION Authors: Dudey, A.P, Hemmings, A.M. Deposit date: 2024-03-21 Release date: 2024-05-15 Last modified: 2024-09-18 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases. J Enzyme Inhib Med Chem, 39, 2024
1AQF	PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE Descriptor: L-PHOSPHOLACTATE, MAGNESIUM ION, POTASSIUM ION, ... Authors: Larsen, T.M, Benning, M.M, Wesenberg, G.E, Rayment, I, Reed, G.H. Deposit date: 1997-07-29 Release date: 1998-09-16 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Ligand-induced domain movement in pyruvate kinase: structure of the enzyme from rabbit muscle with Mg2+, K+, and L-phospholactate at 2.7 A resolution. Arch.Biochem.Biophys., 345, 1997

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