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: | 2020-03-04 | | Method: | X-RAY DIFFRACTION | | Cite: | Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
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1ATG
 | | AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | | Deposit date: | 1997-08-14 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA.
Structure, 6, 1998
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1PBQ
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1MY4
 | | crystal structure of glutamate receptor ligand-binding core in complex with iodo-willardiine in the Zn crystal form | | Descriptor: | 2-AMINO-3-(5-IODO-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: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 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
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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
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3S8N
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3S8O
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2MGY
 | | Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195 | | Descriptor: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein | | Authors: | Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the mitochondrial translocator protein in complex with a diagnostic ligand.
Science, 343, 2014
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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: | 2017-08-23 | | 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
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8R36
 | | Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538 at 1.90 A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ... | | Authors: | Bay, Y, Frantsen, S.M, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2023-11-08 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the GluK1 ligand-binding domain with kainate and the full-spanning positive allosteric modulator BPAM538.
J.Struct.Biol., 2024
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6FJM
 | | tubulin-Disorazole Z complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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4CA1
 | | 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
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6HGN
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6FII
 | | Tubulin-Spongistatin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-18 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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6HGH
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2JGC
 | | Structure of the human eIF4E homologous protein, 4EHP without ligand bound | | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | | Deposit date: | 2007-02-12 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
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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
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1IKJ
 | | 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
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2HEO
 | | 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
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7P0K
 | | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
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6FJF
 | | Tubulin-FcMaytansine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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6HGM
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5ZWI
 | | Interaction between Vitamin D receptor (VDR) and a ligand having a dienone group | | Descriptor: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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5O76
 | | Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL, Tyrosine protein kinase ZAP70 peptide, ... | | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | | Deposit date: | 2017-06-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.473 Å) | | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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5E4K
 | | 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
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