5UIR
 
 | | Crystal structure of IRAK4 in complex with compound 11 | | Descriptor: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIT
 | | Crystal structure of IRAK4 in complex with compound 14 | | Descriptor: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UZU
 | | Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | de Jong, N, Geisbrecht, B.V, van Strijp, J, Haas, P, Nijland, R, Ramyar, K, Fevre, C, Guerra, F, Voyich-Kane, J, van Kessel, C, Garcia, B. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Immune evasion by a staphylococcal inhibitor of myeloperoxidase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6HX1
 | | IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2 | | Descriptor: | 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Augustin, M.A, Krapp, S, Bayliss, R, Collins, I. | | Deposit date: | 2018-10-15 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
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1B10
 | | SOLUTION NMR STRUCTURE OF RECOMBINANT SYRIAN HAMSTER PRION PROTEIN RPRP(90-231) , 25 STRUCTURES | | Descriptor: | PROTEIN (PRION PROTEIN) | | Authors: | James, T.L, Liu, H, Ulyanov, N.B, Farr-Jones, S. | | Deposit date: | 1998-11-25 | | Release date: | 1998-12-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a 142-residue recombinant prion protein corresponding to the infectious fragment of the scrapie isoform.
Proc.Natl.Acad.Sci.USA, 94, 1997
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3BY4
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3C0R
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3FO4
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1PS2
 | | HIGH RESOLUTION NMR SOLUTION STRUCTURE OF HUMAN PS2, 19 STRUCTURES | | Descriptor: | PS2 | | Authors: | Williams, M.A, Polshakov, V.I, Gargaro, A.R, Feeney, J. | | Deposit date: | 1997-01-07 | | Release date: | 1997-07-07 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein.
J.Mol.Biol., 267, 1997
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1ZTQ
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033 | | Descriptor: | CALCIUM ION, Collagenase 3, N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE, ... | | Authors: | Wu, J, Rush III, T.S, Hotchandani, R, Du, X, Geck, M, Collins, E, Xu, Z.B, Skotnicki, J, Levin, J.I, Lovering, F. | | Deposit date: | 2005-05-27 | | Release date: | 2006-05-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of potent and selective MMP-13 inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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5HL3
 | | Crystal structure of Listeria monocytogenes InlP | | Descriptor: | CALCIUM ION, CHLORIDE ION, Lmo2470 protein | | Authors: | Nocadello, S, Light, S.H, Minasov, G, Kiryukhina, O, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2021-01-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
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5ITH
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5IU5
 | | Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2 | | Descriptor: | BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*IP*CP*CP*GP*A)-3'), Ru(tap)2(dppz) complex | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-03-17 | | Release date: | 2017-06-21 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unexpected enhancement of sensitised photo-oxidation by a Ru(II) complex on replacement of guanine with inosine in DNA
To Be Published
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5K2H
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3ZRH
 | | Crystal structure of the Lys29, Lys33-linkage-specific TRABID OTU deubiquitinase domain reveals an Ankyrin-repeat ubiquitin binding domain (AnkUBD) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UBIQUITIN THIOESTERASE ZRANB1 | | Authors: | Licchesi, J.D.F, Akutsu, M, Komander, D. | | Deposit date: | 2011-06-16 | | Release date: | 2011-12-14 | | Last modified: | 2012-01-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | An Ankyrin-Repeat Ubiquitin-Binding Domain Determines Trabid'S Specificity for Atypical Ubiquitin Chains.
Nat.Struct.Mol.Biol., 19, 2011
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6I9J
 | | Human transforming growth factor beta2 in a tetragonal crystal form | | Descriptor: | Transforming growth factor beta-2 proprotein | | Authors: | Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T. | | Deposit date: | 2018-11-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
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2N4P
 | | Solution structure of the n-terminal domain of tdp-43 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F, Buratti, E, Laurents, D.V. | | Deposit date: | 2015-06-26 | | Release date: | 2016-01-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The TDP-43 N-terminal domain structure at high resolution.
Febs J., 283, 2016
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2P3I
 | | Crystal structure of Rhesus Rotavirus VP8* at 295K | | Descriptor: | 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4 | | Authors: | Blanchard, H. | | Deposit date: | 2007-03-09 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
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2P3K
 | | Crystal structure of Rhesus rotavirus VP8* at 100K | | Descriptor: | 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Blanchard, H. | | Deposit date: | 2007-03-09 | | Release date: | 2008-03-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
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2P3J
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2QVT
 | | Structure of Melampsora lini avirulence protein, AvrL567-D | | Descriptor: | AvrL567-D | | Authors: | Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Lawrence, G, Schirra, H.J, Anderson, P.A, Ellis, J.G, Dodds, P.N, Kobe, B. | | Deposit date: | 2007-08-08 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of flax rust avirulence proteins AvrL567-A and -D reveal details of the structural basis for flax disease resistance specificity.
Plant Cell, 19, 2007
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2G
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