7CE4
 
 | | Tankyrase2 catalytic domain in complex with K-476 | | Descriptor: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | | Authors: | Takahashi, Y, Suzuki, M, Saito, J. | | Deposit date: | 2020-06-22 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
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3T1D
 | | The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin | | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2011-07-21 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
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4MER
 | | Crystal structure of the novel protein and virulence factor sHIP (Q99XU0) from Streptococcus pyogenes | | Descriptor: | streptococcal Histidine-rich glycoprotein Interacting Protein | | Authors: | Wisniewska, M, Happonen, L, Frick, M.-I, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-21 | | Last modified: | 2014-07-16 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
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1QUZ
 | | Solution structure of the potassium channel scorpion toxin HSTX1 | | Descriptor: | HSTX1 TOXIN | | Authors: | Savarin, P, Romi-Lebrun, R, Zinn-Justin, S, Lebrun, B, Nakajima, T, Gilquin, B, Menez, A. | | Deposit date: | 1999-07-05 | | Release date: | 2000-07-07 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structural and functional consequences of the presence of a fourth disulfide bridge in the scorpion short toxins: solution structure of the potassium channel inhibitor HsTX1.
Protein Sci., 8, 1999
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2FAI
 | | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide | | Descriptor: | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-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: | 2005-12-07 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
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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
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1DTT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-04-02 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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1DTQ
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-03-20 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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8TGF
 | | Crystal structure of cEPG5 LIR/LGG-1 complex | | Descriptor: | ACETATE ION, Ectopic P granules protein 5, Protein lgg-1 | | Authors: | Cheung, Y.W.S, Yip, C.K. | | Deposit date: | 2023-07-12 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of the mode of interaction between the tandem LC3-interacting region motif of the autophagy tethering factor EPG5 and ATG8 proteins
To be published
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8VSI
 | | Mechanistic Insights Revealed by YbtPQ in the Occluded State | | Descriptor: | ABC transporter ATP-binding protein, ADP ORTHOVANADATE, MAGNESIUM ION, ... | | Authors: | Hu, W, Parkinson, C, Zheng, H. | | Deposit date: | 2024-01-24 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mechanistic Insights Revealed by YbtPQ in the Occluded State.
Biomolecules, 14, 2024
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1JVK
 | | THREE-DIMENSIONAL STRUCTURE OF AN IMMUNOGLOBULIN LIGHT CHAIN DIMER ACTING AS A LETHAL AMYLOID PRECURSOR | | Descriptor: | IMMUNOGLOBULIN LAMBDA LIGHT CHAIN | | Authors: | Bourne, P.C, Ramsland, P.A, Shan, L, Fan, Z.-C, DeWitt, C.R, Shultz, B.B, Terzyan, S.S, Edmundson, A.B. | | Deposit date: | 2001-08-30 | | Release date: | 2002-05-03 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Three-dimensional structure of an immunoglobulin light-chain dimer with amyloidogenic properties.
Acta Crystallogr.,Sect.D, 58, 2002
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2B1V
 | | Human estrogen receptor alpha ligand-binding domain in complex with OBCP-1M and a glucocorticoid receptor interacting protein 1 NR box II peptide | | Descriptor: | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-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: | 2005-09-16 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
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8SO0
 | | Cryo-EM structure of the PP2A:B55-FAM122A complex | | Descriptor: | FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, ... | | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | | Deposit date: | 2023-04-28 | | Release date: | 2023-10-25 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.79961 Å) | | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
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6MNI
 | | Structure of the tandem CACHE domain of PscC | | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | | Authors: | Johnston, J.M, Gerth, M.L, Ehrhardt, M.K.G. | | Deposit date: | 2018-10-01 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition.
Biochem.Biophys.Res.Commun., 549, 2021
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8TWI
 | | Cryo-EM structure of the PP2A:B55-FAM122A complex, PP2Ac body | | Descriptor: | FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | | Deposit date: | 2023-08-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19.
Nature, 625, 2024
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2B1Z
 | | Human estrogen receptor alpha ligand-binding domain in complex with 17methyl-17alpha-dihydroequilenin and a glucoc interacting protein 1 NR box II peptide | | Descriptor: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Molecular characterization of a B-ring unsaturated estrogen: implications for conjugated equine estrogen components of premarin.
Steroids, 73, 2008
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3A98
 | | Crystal structure of the complex of the interacting regions of DOCK2 and ELMO1 | | Descriptor: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1 | | Authors: | Hanawa-Suetsugu, K, Kukimoto-Niino, M, Sekine, S, Ito, T, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S. | | Deposit date: | 2009-10-21 | | Release date: | 2010-10-27 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2D3G
 | | Double sided ubiquitin binding of Hrs-UIM | | Descriptor: | ubiquitin, ubiquitin interacting motif from hepatocyte growth factor-regulated tyrosine kinase substrate | | Authors: | Hirano, S, Kawasaki, M, Kato, R, Wakatsuki, S. | | Deposit date: | 2005-09-28 | | Release date: | 2005-12-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Double-sided ubiquitin binding of Hrs-UIM in endosomal protein sorting
Nat.Struct.Mol.Biol., 13, 2006
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1ZKY
 | | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide | | Descriptor: | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-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, Hahm, J.B, Nettles, K.W, Greene, G.L. | | Deposit date: | 2005-05-04 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006
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5KIC
 | | Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series | | Descriptor: | CALIFORNIUM ION, CHLORIDE ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ... | | Authors: | Rupert, P.B, Strong, R.K. | | Deposit date: | 2016-06-16 | | Release date: | 2017-04-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Chelation and stabilization of berkelium in oxidation state +IV.
Nat Chem, 9, 2017
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5S8M
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (space group C2) | | Descriptor: | 1-BENZYL-1H-IMIDAZOLE, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | XChem group deposition
To Be Published
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5S8K
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (space group C2) | | Descriptor: | 3,4-dimethyl-1,2-oxazol-5-amine, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | XChem group deposition
To Be Published
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5S8G
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00804d (space group C2) | | Descriptor: | 1,3-benzothiazole-6-carboxylic acid, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | XChem group deposition
To Be Published
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5S8J
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (space group C2) | | Descriptor: | 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | XChem group deposition
To Be Published
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5S8Q
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with FMO3D000185a (space group P212121) | | Descriptor: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | XChem group deposition
To Be Published
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