5KSO
| hMiro1 C-domain GDP-Pi Complex P3121 Crystal Form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1, PHOSPHATE ION | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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8C1Y
| Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30) | Descriptor: | 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | Authors: | Pennings, M.A.M, Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity. Biorxiv, 2024
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1XCB
| X-ray Structure of a Rex-Family Repressor/NADH Complex from Thermus Aquaticus | Descriptor: | CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor rex | Authors: | Sickmier, E.A, Brekasis, D, Paranawithana, S, Bonanno, J.B, Burley, S.K, Paget, M.S, Kielkopf, C.L, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-09-01 | Release date: | 2004-09-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-Ray Structure of a Rex-Family Repressor/NADH Complex: Insights into the Mechanism of Redox Sensing Structure, 13, 2005
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8CHA
| Fc gamma RIIa 27W/131H variant ectodomain | Descriptor: | 1,2-DIMETHOXYETHANE, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 3,6,9,12,15,18-HEXAOXAICOSANE, ... | Authors: | Foy, E.G, Thomsen, M, Goldman, A, Robinson, J.I. | Deposit date: | 2023-02-07 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fc gamma RIIa 27W/131H variant ectodomain To Be Published
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4Q23
| The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | Deposit date: | 2014-04-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates To be Published
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1OJD
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4LF9
| Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, MAGNESIUM ION, ... | Authors: | Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T. | Deposit date: | 2013-06-26 | Release date: | 2014-07-02 | Method: | X-RAY DIFFRACTION (3.2811 Å) | Cite: | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus to be published, 2013
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6MAC
| Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ... | Authors: | Goebel, E.J, Thompson, T.B. | Deposit date: | 2018-08-27 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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8BZG
| FC-31 stabilizer of 14-3-3 and ERalpha | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ... | Authors: | Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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6MA3
| Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a | Descriptor: | 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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8C0L
| FC-THF stabilizer of 14-3-3 and ERalpha | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF | Authors: | Visser, E.J, Ottmann, C. | Deposit date: | 2022-12-17 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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1XLS
| Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs | Descriptor: | (9cis)-retinoic acid, 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE, Nuclear receptor coactivator 2, ... | Authors: | Suino, K, peng, L, Reynolds, R, Li, Y, Cha, J.-Y, Repa, J.J, Kliewer, S.A, Xu, H.E. | Deposit date: | 2004-09-30 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization. Mol.Cell, 16, 2004
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1OFG
| GLUCOSE-FRUCTOSE OXIDOREDUCTASE | Descriptor: | GLUCOSE-FRUCTOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kingston, R.L, Scopes, R.K, Baker, E.N. | Deposit date: | 1996-10-17 | Release date: | 1997-04-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of glucose-fructose oxidoreductase from Zymomonas mobilis: an osmoprotective periplasmic enzyme containing non-dissociable NADP. Structure, 4, 1996
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2DSA
| Ternary complex of BphK, a bacterial GST | Descriptor: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, GLUTATHIONE, Glutathione S-transferase | Authors: | Tocheva, E.I, Murphy, M.E.P. | Deposit date: | 2006-06-24 | Release date: | 2006-08-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of ternary complexes of BphK, a bacterial glutathione S-transferase that reductively dechlorinates polychlorinated biphenyl metabolites J.Biol.Chem., 281, 2006
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2XX7
| Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | Descriptor: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-09 | Release date: | 2011-04-06 | Last modified: | 2011-09-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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6MBX
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3IJJ
| Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) | Descriptor: | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ... | Authors: | Crichlow, G.V, Cho, Y, Lolis, E.J. | Deposit date: | 2009-08-04 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
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7KGC
| Crystal structure of a perchloric acid-soluble protein (PSP) from Trichomonas vaginalis at 1.95 A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative translation initiation inhibitor | Authors: | Diaz-Vilchis, A, Rudino-Pinera, E, Alvarez-Sanchez, M.E, Arreola, R. | Deposit date: | 2020-10-16 | Release date: | 2021-10-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Putative New Role of Tv-PSP1 Recognizes IRE and ERE Hairpin Structures from Trichomonas vaginalis. Pathogens, 12, 2023
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2XX9
| Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | Deposit date: | 2010-11-09 | Release date: | 2011-04-06 | Last modified: | 2011-09-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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3IQL
| Crystal structure of the rat endophilin-A1 SH3 domain | Descriptor: | CHLORIDE ION, Endophilin-A1 | Authors: | Trempe, J.F, Kozlov, G, Camacho, E.M, Gehring, K. | Deposit date: | 2009-08-20 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | SH3 domains from a subset of BAR proteins define a Ubl-binding domain and implicate parkin in synaptic ubiquitination. Mol.Cell, 36, 2009
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7EXD
| Lasmiditan-bound serotonin 1F (5-HT1F) receptor-Gi protein complex | Descriptor: | 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide, 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, ... | Authors: | Huang, S, Xu, P, Jiang, Y, Xu, H.E. | Deposit date: | 2021-05-27 | Release date: | 2021-08-04 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for recognition of anti-migraine drug lasmiditan by the serotonin receptor 5-HT 1F -G protein complex. Cell Res., 31, 2021
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1OHF
| The refined structure of Nudaurelia capensis omega virus | Descriptor: | MAGNESIUM ION, p70 | Authors: | Helgstrand, C, Munshi, S, Johnson, J.E, Liljas, L. | Deposit date: | 2003-05-26 | Release date: | 2004-02-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Refined Structure of Nudaurelia Capensis Omega Virus Reveals Control Elements for a T = 4 Capsid Maturation Virology, 318, 2004
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5L5F
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6MA4
| Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a | Descriptor: | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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5L5Z
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