8B2T
 
 | | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-09-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
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4Q0K
 | | Crystal Structure of Phytohormone Binding Protein from Medicago truncatula in complex with gibberellic acid (GA3) | | Descriptor: | GIBBERELLIN A3, GLYCEROL, PHYTOHORMONE BINDING PROTEIN MTPHBP | | Authors: | Ciesielska, A, Barciszewski, J, Ruszkowski, M, Jaskolski, M, Sikorski, M. | | Deposit date: | 2014-04-02 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Specific binding of gibberellic acid by Cytokinin-Specific Binding Proteins: a new aspect of plant hormone-binding proteins with the PR-10 fold.
Acta Crystallogr.,Sect.D, 70, 2014
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3FAY
 | | Crystal structure of the GAP-related domain of IQGAP1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ras GTPase-activating-like protein IQGAP1 | | Authors: | Kurella, V.B, Richard, J.M, Parke, C.L, Bellamy, H, Worthylake, D.K. | | Deposit date: | 2008-11-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the GTPase-activating protein-related domain from IQGAP1.
J.Biol.Chem., 284, 2009
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2LG4
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8V42
 | | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 | | Descriptor: | (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Counago, R.M, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Arruda, P. | | Deposit date: | 2023-11-28 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon.
J.Med.Chem., 67, 2024
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6H3E
 | | Receptor-bound Ghrelin conformation | | Descriptor: | Appetite-regulating hormone, octan-1-amine | | Authors: | Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A. | | Deposit date: | 2018-07-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5ALC
 | | Ticagrelor antidote candidate Fab 72 in complex with ticagrelor | | Descriptor: | ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ... | | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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1E08
 | | Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking | | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | Authors: | Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F. | | Deposit date: | 2000-03-13 | | Release date: | 2000-08-25 | | Last modified: | 2019-11-27 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
J.Biol.Chem., 275, 2000
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2ZSI
 | | Structural basis of gibberellin(GA4)-induced DELLA recognition by the gibberellin receptor | | Descriptor: | DELLA protein GAI, GIBBERELLIN A4, Probable gibberellin receptor GID1L1 | | Authors: | Murase, K, Hirano, Y, Sun, T.P, Hakoshima, T. | | Deposit date: | 2008-09-10 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gibberellin-induced DELLA recognition by the gibberellin receptor GID1
Nature, 456, 2008
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2ZSH
 | | Structural basis of gibberellin(GA3)-induced DELLA recognition by the gibberellin receptor | | Descriptor: | DELLA protein GAI, GIBBERELLIN A3, Probable gibberellin receptor GID1L1 | | Authors: | Murase, K, Hirano, Y, Sun, T.P, Hakoshima, T. | | Deposit date: | 2008-09-10 | | Release date: | 2008-11-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gibberellin-induced DELLA recognition by the gibberellin receptor GID1
Nature, 456, 2008
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2K8D
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2KWL
 | | Solution Structure of acyl carrier protein from Borrelia burgdorferi | | Descriptor: | Acyl carrier protein | | Authors: | Barnwal, R, Vittal, V, Moody, J, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2010-04-12 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structure of an acyl-carrier protein from Borrelia burgdorferi.
Acta Crystallogr.,Sect.F, 67, 2011
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6Z7U
 | | Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ewert, W, Preller, M. | | Deposit date: | 2020-06-01 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.
Int J Mol Sci, 21, 2020
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7RPR
 | | Borrelia miyamotoi FbpA complement inhibitory domain | | Descriptor: | Fibronectin-binding lipoprotein FbpA | | Authors: | Booth, C.E, Garcia, B.L. | | Deposit date: | 2021-08-04 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Borrelia miyamotoi FbpA and FbpB Are Immunomodulatory Outer Surface Lipoproteins With Distinct Structures and Functions.
Front Immunol, 13, 2022
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6ZOP
 | | Structure of the cysteine-rich domain of PiggyMac, a domesticated PiggyBac transposase involved in programmed genome rearrangements | | Descriptor: | DDE_Tnp_1_7 domain-containing protein, ZINC ION | | Authors: | Bessa, L, Guerineau, M, Moriau, S, Lescop, E, Bontems, F, Mathy, N, Guittet, E, Bischerour, J, Betermier, M, Morellet, N. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | SOLUTION NMR | | Cite: | The unusual structure of the PiggyMac cysteine-rich domain reveals zinc finger diversity in PiggyBac-related transposases.
Mob DNA, 12, 2021
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5ALB
 | | Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor | | Descriptor: | MEDI2452 HEAVY CHAIN, MEDI2452 LIGHT CHAIN, Ticagrelor | | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
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2FHW
 | | Solution structure of human relaxin-3 | | Descriptor: | Relaxin 3 (Prorelaxin H3) (Insulin-like peptide INSL7) (Insulin-like peptide 7) | | Authors: | Rosengren, K.J, Craik, D.J. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-24 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure and novel insights into the determinants of the receptor specificity of human relaxin-3.
J.Biol.Chem., 281, 2006
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4G10
 | | LigG from Sphingobium sp. SYK-6 is related to the glutathione transferase omega class | | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase homolog, ... | | Authors: | Meux, E, Prosper, P, Masai, E, Mulliert Carlin, G, Dumarcay, S, Morel, M, Didierjean, C, Gelhaye, E, Favier, F. | | Deposit date: | 2012-07-10 | | Release date: | 2012-10-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Sphingobium sp. SYK-6 LigG involved in lignin degradation is structurally and biochemically related to the glutathione transferase omega class.
Febs Lett., 586, 2012
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2MV1
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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3GQG
 | | Crystal structure at acidic pH of the ferric form of the Root effect hemoglobin from Trematomus bernacchii. | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vergara, A, Franzese, M, Merlino, A, Bonomi, G, Mazzarella, L. | | Deposit date: | 2009-03-24 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Correlation between hemichrome stability and the root effect in tetrameric hemoglobins.
Biophys.J., 97, 2009
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1KFA
 | | Crystal structure of Fab fragment complexed with gibberellin A4 | | Descriptor: | GIBBERELLIN A4, monoclonal antibody heavy chain, monoclonal antibody light chain | | Authors: | Murata, T, Fushinobu, S, Nakajima, M, Asami, O, Sassa, T, Wakagi, T, Yamaguchi, I. | | Deposit date: | 2001-11-20 | | Release date: | 2002-09-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the liganded anti-gibberellin A(4) antibody 4-B8(8)/E9 Fab fragment.
Biochem.Biophys.Res.Commun., 293, 2002
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1GJI
 | | Crystal structure of c-Rel bound to DNA | | Descriptor: | C-REL PROTO-ONCOGENE PROTEIN, IL-2 CD28RE DNA | | Authors: | Huang, D.B, Chen, Y.Q, Ruetsche, M, Phelps, C.B, Ghosh, G. | | Deposit date: | 2001-05-30 | | Release date: | 2002-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | X-ray crystal structure of proto-oncogene product c-Rel bound to the CD28 response element of IL-2.
Structure, 9, 2001
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6SZS
 | | Release factor-dependent ribosome rescue by BrfA in the Gram-positive bacterium Bacillus subtilis | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Muller, C, Beckert, B, Wilson, D.N. | | Deposit date: | 2019-10-02 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Release factor-dependent ribosome rescue by BrfA in the Gram-positive bacterium Bacillus subtilis.
Nat Commun, 10, 2019
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