4ORS
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![BU of 4ors by Molmil](/molmil-images/mine/4ors) | Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | Descriptor: | Prostaglandin-H2 D-isomerase, SULFATE ION | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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9BIZ
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![BU of 9biz by Molmil](/molmil-images/mine/9biz) | |
6LAU
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![BU of 6lau by Molmil](/molmil-images/mine/6lau) | the wildtype SAM-VI riboswitch bound to SAH | Descriptor: | CESIUM ION, GUANOSINE-5'-TRIPHOSPHATE, RNA (54-MER), ... | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.109 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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3LJ1
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![BU of 3lj1 by Molmil](/molmil-images/mine/3lj1) | IRE1 complexed with Cdk1/2 Inhibitor III | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Lee, K.P.K, Sicheri, F. | Deposit date: | 2010-01-25 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1. Mol.Cell, 38, 2010
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4ORU
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![BU of 4oru by Molmil](/molmil-images/mine/4oru) | Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase holo-form second space group | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Prostaglandin-H2 D-isomerase | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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4G9Y
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![BU of 4g9y by Molmil](/molmil-images/mine/4g9y) | Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor | Descriptor: | GLYCEROL, PcaV transcriptional regulator | Authors: | Brown, B.L, Davis, J.R, Sello, J.K, Page, R. | Deposit date: | 2012-07-24 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Study of PcaV from Streptomyces coelicolor yields new insights into ligand-responsive MarR family transcription factors. Nucleic Acids Res., 41, 2013
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4ZI1
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![BU of 4zi1 by Molmil](/molmil-images/mine/4zi1) | |
2R53
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![BU of 2r53 by Molmil](/molmil-images/mine/2r53) | |
1ISS
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![BU of 1iss by Molmil](/molmil-images/mine/1iss) | Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with an antagonist | Descriptor: | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE, Metabotropic Glutamate Receptor subtype 1 | Authors: | Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-21 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+. Proc.Natl.Acad.Sci.USA, 99, 2002
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3LJ0
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![BU of 3lj0 by Molmil](/molmil-images/mine/3lj0) | IRE1 complexed with ADP and Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, K.P.K, Sicheri, F. | Deposit date: | 2010-01-25 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1. Mol.Cell, 38, 2010
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6LAX
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![BU of 6lax by Molmil](/molmil-images/mine/6lax) | the mutant SAM-VI riboswitch (U6C) bound to SAM | Descriptor: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | Authors: | Sun, A, Ren, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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6LAZ
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![BU of 6laz by Molmil](/molmil-images/mine/6laz) | the wildtype SAM-VI riboswitch bound to a N-mustard SAM analog M1 | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate, MAGNESIUM ION, RNA (55-MER), ... | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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1NHZ
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![BU of 1nhz by Molmil](/molmil-images/mine/1nhz) | Crystal Structure of the Antagonist Form of Glucocorticoid Receptor | Descriptor: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLUCOCORTICOID RECEPTOR, HEXANE-1,6-DIOL | Authors: | Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M. | Deposit date: | 2002-12-20 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain:
RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM. J.Biol.Chem., 278, 2003
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6LAS
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![BU of 6las by Molmil](/molmil-images/mine/6las) | the wildtype SAM-VI riboswitch bound to SAM | Descriptor: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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4XST
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![BU of 4xst by Molmil](/molmil-images/mine/4xst) | Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ... | Authors: | Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C. | Deposit date: | 2015-01-22 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors. Structure, 23, 2015
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2RKM
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![BU of 2rkm by Molmil](/molmil-images/mine/2rkm) | STRUCTURE OF OPPA COMPLEXED WITH LYS-LYS | Descriptor: | LYSINE, OLIGO-PEPTIDE BINDING PROTEIN, URANYL (VI) ION | Authors: | Sleigh, S.H, Tame, J.R.H, Wilkinson, A.J. | Deposit date: | 1997-03-25 | Release date: | 1997-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine. Biochemistry, 36, 1997
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1BID
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![BU of 1bid by Molmil](/molmil-images/mine/1bid) | |
5BO4
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![BU of 5bo4 by Molmil](/molmil-images/mine/5bo4) | Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | Descriptor: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | Authors: | Gadd, M.S, Bulatov, E, Ciulli, A. | Deposit date: | 2015-05-27 | Release date: | 2015-07-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases. Plos One, 10, 2015
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6SOF
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![BU of 6sof by Molmil](/molmil-images/mine/6sof) | human insulin receptor ectodomain bound by 4 insulin | Descriptor: | Insulin, Insulin receptor | Authors: | Gutmann, T, Schaefer, I.B, Poojari, C.S, Vattulainen, I, Strauss, M, Coskun, U. | Deposit date: | 2019-08-29 | Release date: | 2019-11-13 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of the complete and ligand-saturated insulin receptor ectodomain. J.Cell Biol., 219, 2020
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3IPB
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![BU of 3ipb by Molmil](/molmil-images/mine/3ipb) | Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker). | Descriptor: | 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin | Authors: | Kolstoe, S.E, Wood, S.P, Pepys, M.B. | Deposit date: | 2009-08-17 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
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7QID
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![BU of 7qid by Molmil](/molmil-images/mine/7qid) | tentative model of the human insulin receptor ectodomain bound by three insulin | Descriptor: | Insulin, Insulin receptor, Isoform Short of Insulin receptor | Authors: | Gutman, T, Schaefer, I.B, Poojari, C.S, Vattulainen, I, Strauss, M, Coskun, U. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Cryo-EM structure of the complete and ligand-saturated insulin receptor ectodomain J Cell Biol, 219, 2020
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4XSS
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![BU of 4xss by Molmil](/molmil-images/mine/4xss) | Insulin-like growth factor I in complex with site 1 of a hybrid insulin receptor / Type 1 insulin-like growth factor receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, ... | Authors: | Lawrence, C, Kong, G.K.-W, Menting, J.G, Lawrence, M.C. | Deposit date: | 2015-01-22 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors. Structure, 23, 2015
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3IPE
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![BU of 3ipe by Molmil](/molmil-images/mine/3ipe) | Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 carbon linker). | Descriptor: | 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin | Authors: | Kolstoe, S.E, Wood, S.P, Pepys, M.B. | Deposit date: | 2009-08-17 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
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5N5T
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![BU of 5n5t by Molmil](/molmil-images/mine/5n5t) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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6FC9
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![BU of 6fc9 by Molmil](/molmil-images/mine/6fc9) | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | Deposit date: | 2017-12-20 | Release date: | 2019-04-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot. Chemistry, 2020
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