6IAK
 
 | | The crystal structure of the chicken CREB3 bZIP | | Descriptor: | Uncharacterized protein | | Authors: | Sabaratnam, K, Renner, M. | | Deposit date: | 2018-11-26 | | Release date: | 2019-12-11 | | Last modified: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Insights from the crystal structure of the chicken CREB3 bZIP suggest that members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress.
Protein Sci., 28, 2019
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4KYE
 | | Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. | | Descriptor: | Maltose-binding periplasmic protein, Phosphoprotein, chimeric construct, ... | | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
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4KYD
 | | Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ... | | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
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4KYC
 | | Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP. | | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Maltose-binding periplasmic protein, ... | | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
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3POK
 | | Interleukin-1-beta LBT L3 Mutant | | Descriptor: | Interleukin-1 beta | | Authors: | Barthelmes, K, Reynolds, A.M, Peisach, E, Jonker, H.R.A, DeNunzio, N.J, Allen, K.N, Imperiali, B, Schwalbe, H. | | Deposit date: | 2010-11-22 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
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1ZIT
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5M5B
 | | Crystal structure of Zika virus NS5 methyltransferase | | Descriptor: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | | Authors: | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | | Deposit date: | 2016-10-21 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
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5EC8
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5E9Q
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5EIF
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5EHG
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5EKX
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11 | | Descriptor: | 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2015-11-04 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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5EHI
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5EIW
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 | | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2015-10-30 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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4CTK
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4 | | Descriptor: | DIMETHYL SULFOXIDE, POLYPROTEIN, S-ADENOSYLMETHIONINE, ... | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2014-03-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
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4CTJ
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9 | | Descriptor: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ... | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2014-03-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
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2AGV
 | | Crystal structure of the SR CA2+-ATPASE with BHQ and TG | | Descriptor: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Toyoshima, C, Obara, K, Norimatsu, Y. | | Deposit date: | 2005-07-27 | | Release date: | 2005-10-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 102, 2005
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1U3O
 | | Solution structure of rat Kalirin N-terminal SH3 domain | | Descriptor: | Huntingtin-associated protein-interacting protein | | Authors: | Schiller, M.R, Chakrabarti, K, King, G.F, Schiller, N.I, Eipper, B.A, Maciejewski, M.W. | | Deposit date: | 2004-07-22 | | Release date: | 2005-07-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Regulation of RhoGEF Activity by Intramolecular and Intermolecular SH3 Domain Interactions.
J.Biol.Chem., 281, 2006
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6VC1
 | | Octreotide oxalate | | Descriptor: | OXALATE ION, Octreotide | | Authors: | Spiliopoulou, M, Karavassili, F, Triandafillidis, D, Valmas, A, Kosinas, C, Fili, S, Barlos, K, Barlos, K.K, Morin, M, Reinle-Schmitt, M, Gozzo, F, Margiolaki, I. | | Deposit date: | 2019-12-20 | | Release date: | 2020-12-23 | | Last modified: | 2021-05-19 | | Method: | POWDER DIFFRACTION | | Cite: | New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide.
Acta Crystallogr.,Sect.A, 77, 2021
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5JH7
 | | Tubulin-Eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
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5MF4
 | | Tubulin-Dictyostatin complex | | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
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6BK0
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8AAK
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 29 | | Descriptor: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAP
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi | | Descriptor: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAO
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 95 | | Descriptor: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.469 Å) | | Cite: | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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