6TLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlt by Molmil](/molmil-images/mine/6tlt) | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4KAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kap by Molmil](/molmil-images/mine/4kap) | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand | Descriptor: | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M. | Deposit date: | 2013-04-22 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand. Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
1NNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nnp by Molmil](/molmil-images/mine/1nnp) | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.9 A resolution. Crystallization without zinc ions. | Descriptor: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, Glutamate receptor 2, SULFATE ION | Authors: | Lunn, M.L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2003-01-14 | Release date: | 2003-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of the Ligand-Binding
Core of GluR2 in Complex with the Agonist (S)-ATPA:
Implications for Receptor Subunit Selectivity. J.Med.Chem., 46, 2003
|
|
3VJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vji by Molmil](/molmil-images/mine/3vji) | Human PPAR gamma ligand binding domain in complex with JKPL53 | Descriptor: | (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
|
|
1GCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gcf by Molmil](/molmil-images/mine/1gcf) | NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF THE LIGAND-BINDING REGION OF MURINE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR, 12 STRUCTURES | Descriptor: | GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR | Authors: | Yamasaki, K, Naito, S, Anaguchi, H, Ohkubo, T, Ota, Y. | Deposit date: | 1997-04-10 | Release date: | 1997-10-22 | Last modified: | 2018-03-14 | Method: | SOLUTION NMR | Cite: | Solution structure of an extracellular domain containing the WSxWS motif of the granulocyte colony-stimulating factor receptor and its interaction with ligand. Nat.Struct.Biol., 4, 1997
|
|
4KCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kcd by Molmil](/molmil-images/mine/4kcd) | Crystal Structure of the NMDA Receptor GluN3A Ligand Binding Domain Apo State | Descriptor: | GLYCEROL, Glutamate receptor ionotropic, NMDA 3A | Authors: | Yao, Y, Lau, A.Y, Mayer, M.L. | Deposit date: | 2013-04-24 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics. Structure, 21, 2013
|
|
1NNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nnk by Molmil](/molmil-images/mine/1nnk) | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.85 A resolution. Crystallization with zinc ions. | Descriptor: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, CHLORIDE ION, Glutamate receptor 2, ... | Authors: | Lunn, M.-L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2003-01-14 | Release date: | 2003-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Three-Dimensional Structure of the Ligand-Binding
Core of GluR2 in Complex with the Agonist (S)-ATPA:
Implications for Receptor Subunit Selectivity. J.Med.Chem., 46, 2003
|
|
3W3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w3g by Molmil](/molmil-images/mine/3w3g) | Crystal structure of human TLR8 (unliganded form) | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-21 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
|
|
3VJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vjh by Molmil](/molmil-images/mine/3vjh) | Human PPAR GAMMA ligand binding domain in complex with JKPL35 | Descriptor: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
|
|
5UJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uj1 by Molmil](/molmil-images/mine/5uj1) | |
5UZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uz8 by Molmil](/molmil-images/mine/5uz8) | Crystal Structure of Mouse Cadherin-23 EC22-24 | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-23, ... | Authors: | Patel, A, Jaiganesh, A, Sotomayor, M. | Deposit date: | 2017-02-25 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
|
|
1F5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f5y by Molmil](/molmil-images/mine/1f5y) | NMR STRUCTURE OF A CONCATEMER OF THE FIRST AND SECOND LIGAND-BINDING MODULES OF THE HUMAN LDL RECEPTOR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | Authors: | Kurniawan, N.D, Atkins, A.R, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2000-06-18 | Release date: | 2000-08-30 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor. Protein Sci., 9, 2000
|
|
4UWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uwd by Molmil](/molmil-images/mine/4uwd) | |
3B76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b76 by Molmil](/molmil-images/mine/3b76) | Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase LNX, SODIUM ION | Authors: | Ugochukwu, E, Burgess-Brown, N, Berridge, G, Elkins, J, Bunkoczi, G, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Gileadi, O, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-30 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor. To be Published
|
|
5OX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ox2 by Molmil](/molmil-images/mine/5ox2) | |
6XKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkc by Molmil](/molmil-images/mine/6xkc) | Crystal structure of E3 ligase | Descriptor: | Protein fem-1 homolog C | Authors: | Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron. Nat.Chem.Biol., 17, 2021
|
|
7PT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pt0 by Molmil](/molmil-images/mine/7pt0) | SCO3201 with putative ligand | Descriptor: | SPERMIDINE, TetR family transcriptional regulator | Authors: | Werten, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2021-09-25 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism. Febs J., 290, 2023
|
|
1ACL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1acl by Molmil](/molmil-images/mine/1acl) | |
1ACJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1acj by Molmil](/molmil-images/mine/1acj) | |
4GYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gye by Molmil](/molmil-images/mine/4gye) | MDR 769 HIV-1 Protease in Complex with Reduced P1F | Descriptor: | P1F peptide, Protease | Authors: | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-09-05 | Release date: | 2013-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013
|
|
2PYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pyy by Molmil](/molmil-images/mine/2pyy) | Crystal Structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with (L)-glutamate | Descriptor: | GLUTAMIC ACID, Ionotropic glutamate receptor bacterial homologue | Authors: | Lee, J.H, Kang, G.B, Lim, H.-H, Ree, M, Park, C.-S, Eom, S.H. | Deposit date: | 2007-05-17 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with L-glutamate: structural dissection of the ligand interaction and subunit interface. J.Mol.Biol., 376, 2008
|
|
1RHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rhf by Molmil](/molmil-images/mine/1rhf) | Crystal Structure of human Tyro3-D1D2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Tyrosine-protein kinase receptor TYRO3, ... | Authors: | Heiring, C, Dahlback, B, Muller, Y.A. | Deposit date: | 2003-11-14 | Release date: | 2004-03-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Ligand recognition and homophilic interactions in Tyro3: structural insights into the Axl/Tyro3 receptor tyrosine kinase family. J.Biol.Chem., 279, 2004
|
|
1UOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uom by Molmil](/molmil-images/mine/1uom) | The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand. | Descriptor: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL, ESTROGEN RECEPTOR | Authors: | Stark, W, Bischoff, S.F, Buhl, T, Fournier, B, Halleux, C, Kallen, J, Keller, H, Renaud, J. | Deposit date: | 2003-04-11 | Release date: | 2003-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Estrogen Receptor Modulators: Identification and Structure-Activity Relationships of Potent Eralpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 46, 2003
|
|
2G44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g44 by Molmil](/molmil-images/mine/2g44) | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide | Descriptor: | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2006-02-21 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and characterization of novel estrogen
receptor agonist ligands and development of biochips for
nuclear receptor drug discovery Thesis, 2006
|
|
1BL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bl4 by Molmil](/molmil-images/mine/1bl4) | FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND | Descriptor: | PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | Authors: | Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D. | Deposit date: | 1998-07-23 | Release date: | 1998-09-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|