1BKP
 
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6XQT
 | | Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | | Deposit date: | 2020-07-10 | | Release date: | 2020-07-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
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6N3L
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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8Y83
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5CQ1
 | | Disproportionating enzyme 1 from Arabidopsis - cycloamylose soak | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | Deposit date: | 2015-07-21 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
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6PTZ
 | | Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide | | Descriptor: | Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | Deposit date: | 2019-07-16 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1BSZ
 | | PEPTIDE DEFORMYLASE AS FE2+ CONTAINING FORM (NATIVE) IN COMPLEX WITH INHIBITOR POLYETHYLENE GLYCOL | | Descriptor: | FE (III) ION, NONAETHYLENE GLYCOL, PROTEIN (PEPTIDE DEFORMYLASE), ... | | Authors: | Becker, A, Schlichting, I, Kabsch, W, Groche, D, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1998-09-01 | | Release date: | 1999-08-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Iron center, substrate recognition and mechanism of peptide deformylase.
Nat.Struct.Biol., 5, 1998
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6TIO
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4YEU
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6TIL
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5NKP
 | | Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide | | Descriptor: | CHLORIDE ION, CITRIC ACID, Kelch-like protein 3, ... | | Authors: | Chen, Z, Sorrell, F.J, Pinkas, D.M, Williams, E, Mathea, S, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Burgess-Brown, N, Bountra, C, Bullock, A. | | Deposit date: | 2017-03-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide
To Be Published
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5NKV
 | | Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K. | | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-04-03 | | Release date: | 2018-01-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
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6PU0
 | | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | | Descriptor: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | Deposit date: | 2019-07-16 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8979 Å) | | Cite: | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6PUP
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5NEJ
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5FA7
 | | CTX-M-15 in complex with FPI-1523 | | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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1BM9
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8WUG
 | | The Crystal Structure of JMJD2D from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lysine-specific demethylase 4D, ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | | Deposit date: | 2023-10-20 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of JMJD2D from Biortus.
To Be Published
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8C4I
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8A5Y
 | | S. cerevisiae apo unphosphorylated APC/C. | | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 2, ... | | Authors: | Barford, D, Fernandez-Vazquez, E, Zhang, Z, Yang, J. | | Deposit date: | 2022-06-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Cryo-EM structure of the S. cerevisiae APC/C-Cdh1 complex and comparison to apo unphosphorylated and phosphorylated states
To Be Published
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6TMN
 | | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond | | Descriptor: | CALCIUM ION, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, THERMOLYSIN, ... | | Authors: | Tronrud, D.E, Holden, H.M, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.
Science, 235, 1987
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6MKJ
 | | Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the closed conformation | | Descriptor: | penicillin binding protein 5 (PBP5) | | Authors: | Moon, T.M, Soares, A, D'Andrea, E.D, Jaconcic, J, Peti, W, Page, R. | | Deposit date: | 2018-09-25 | | Release date: | 2018-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.864 Å) | | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
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8C5M
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Falke, S. | | Deposit date: | 2023-01-09 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
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2WBJ
 | | TCR complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN, ... | | Authors: | Harkiolaki, M, Holmes, S.L, Svendsen, P, Gregersen, J.W, Jensen, L.T, McMahon, R, Friese, M.A, van Boxel, G, Etzensperger, R, Tzartos, J.S, Kranc, K, Sainsbury, S, Harlos, K, Mellins, E.D, Palace, J, Esiri, M.M, van der Merwe, P.A, Jones, E.Y, Fugger, L. | | Deposit date: | 2009-03-02 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | T Cell-Mediated Autoimmune Disease due to Low-Affinity Crossreactivity to Common Microbial Peptides.
Immunity, 30, 2009
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4YJS
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226 | | Descriptor: | 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | | Authors: | Somers, D.O. | | Deposit date: | 2015-03-03 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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