4X6E
 
 | | CD1a binary complex with lysophosphatidylcholine | | Descriptor: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-12-08 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
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8EBC
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP | | Descriptor: | FORMIC ACID, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Osipiuk, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-08-31 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP
To Be Published
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4X6H
 | | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | | Descriptor: | 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide, Cathepsin K, ... | | Authors: | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | | Deposit date: | 2014-12-08 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
J.Med.Chem., 58, 2015
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8DRX
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2) | | Descriptor: | Fusion protein of 3C-like proteinase nsp5 and nsp10-nsp11 (C10) cut site, SODIUM ION | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8DRS
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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1RHU
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | | Deposit date: | 2003-11-14 | | Release date: | 2004-05-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
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8DRT
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8DPD
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4DAW
 | | Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex | | Descriptor: | Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium | | Authors: | Maksimoska, J, Marmorstein, R. | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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8DRR
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp4-nsp5 (C4) cut site sequence | | Descriptor: | 3C-like proteinase nsp5, SODIUM ION | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8DRW
 | | Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp9-nsp10 (C9) cut site sequence | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp9-nsp10 (C9) cut site, PENTAETHYLENE GLYCOL, ... | | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | | Deposit date: | 2022-07-21 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
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8E52
 | | MicroED structure of proteinase K recorded on K2 | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | | Deposit date: | 2022-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors.
J.Struct.Biol., 214, 2022
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1ZUJ
 | | The crystal structure of the Lactococcus lactis MG1363 DpsA protein | | Descriptor: | hypothetical protein Llacc01001955 | | Authors: | Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J. | | Deposit date: | 2005-05-31 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
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4ZG0
 | | Crystal structure of Mouse Syndesmos protein | | Descriptor: | Protein syndesmos | | Authors: | Lee, I, Kim, H, Yoo, J, Cho, H, Lee, W. | | Deposit date: | 2015-04-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Crystal structure of syndesmos and its interaction with Syndecan-4 proteoglycan
Biochem.Biophys.Res.Commun., 463, 2015
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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4ZGP
 | | Structure of Cdc123 from Schizosaccharomyces pombe | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division cycle protein 123 | | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | | Deposit date: | 2015-04-23 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Structure, 23, 2015
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1HCM
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4ZIQ
 | | Crystal structure of trypsin activated alpha-2-macroglobulin from Escherichia coli. | | Descriptor: | CHLORIDE ION, GLYCEROL, Uncharacterized lipoprotein YfhM | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4Z2E
 | | Quinolone(Trovafloxacin)-DNA cleavage complex of gyrase from S. pneumoniae | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-03-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
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4ZJC
 | | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | | Descriptor: | OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase | | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M. | | Deposit date: | 2015-04-29 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.832 Å) | | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
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4Z33
 | | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2 | | Descriptor: | ACETATE ION, D-MYO-INOSITOL-4,5-BISPHOSPHATE, GLYCEROL, ... | | Authors: | Egea-Jimenez, A.L, Gallardo, R, Garcia-Pino, A, Ivarsson, Y, Wawrzyniak, A.M, Kashyap, R, Loris, R, Schymkowitz, J, Rousseau, F, Zimmermann, P. | | Deposit date: | 2015-03-30 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the syntenin PDZ1 and PDZ2 tandem in complex with the Frizzled 7 C-terminal fragment and PIP2
To Be Published
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4DKR
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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4Z5C
 | | HipB-O3 21mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*CP*GP*TP*AP*GP*AP*GP*CP*GP*GP*AP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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1ZS3
 | | The crystal structure of the Lactococcus lactis MG1363 DpsB protein | | Descriptor: | Lactococcus lactis MG1363 DpsA | | Authors: | Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J. | | Deposit date: | 2005-05-23 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
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4Z97
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