3CL0
| N1 Neuraminidase H274Y + oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | Deposit date: | 2008-03-18 | Release date: | 2008-05-20 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
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5UFY
| Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain | Descriptor: | Acyltransferase, SODIUM ION | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-01-06 | Release date: | 2017-10-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA). PLoS Pathog., 13, 2017
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4Y9V
| Gp54 tailspike of Acinetobacter baumannii bacteriophage AP22 in complex with A. baumannii capsular saccharide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-alpha-D-fucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-mannopyranuronic acid, CHLORIDE ION, ... | Authors: | Buth, S.A, Shneider, M.M, Leiman, P.G. | Deposit date: | 2015-02-17 | Release date: | 2017-02-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Structure of Acinetobacter baumannii bacteriophage AP22 polysaccharide degrading lyase in complex with A. baumannii capsular saccharide at 0.9 A resolution TO BE PUBLISHED
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5UG7
| Calcium bound Perforin C2 Domain - T431D | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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5O8Y
| Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Transcriptional regulatory protein RcsB | Authors: | Casino, P, Marina, A, Miguel-Romero, L, Huesa, J. | Deposit date: | 2017-06-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator. Nucleic Acids Res., 46, 2018
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4DST
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ZUD
| THERMOASCUS GH61 ISOZYME A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L. | Deposit date: | 2011-07-18 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components. Proc.Natl.Acad.Sci.USA, 108, 2011
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2WWD
| 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | Deposit date: | 2009-10-22 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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5UDS
| LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lactate racemization operon protein LarE, MAGNESIUM ION, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2WXD
| A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE | Descriptor: | 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Besle, A, Burmeister, W.P. | Deposit date: | 2009-11-09 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase Acta Crystallogr.,Sect.F, 66, 2010
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6IY1
| Structure of human Ras-related protein Rab11 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-11A | Authors: | Ma, P, Li, S, Li, J. | Deposit date: | 2018-12-12 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure of human Ras-related protein Rab11 To Be Published
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4DWY
| Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), MANGANESE (II) ION | Authors: | Mandal, P.K, Venkadesh, S, Gautham, N. | Deposit date: | 2012-02-27 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex Acta Crystallogr.,Sect.F, 68, 2012
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7ZYM
| Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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6IYE
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1P5D
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8PKO
| The ERAD misfolded glycoprotein checkpoint complex from Chaetomium thermophilum (EDEM:PDI heterodimer). | 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: | Roversi, P, Hitchman, C.J, Lia, A, Bayo, Y. | Deposit date: | 2023-06-27 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The ERAD misfolded glycoprotein checkpoint complex from Chaetomium thermophilum (EDEM:PDI heterodimer). To Be Published
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8PUZ
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7WRV
| The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S | Descriptor: | JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-27 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7ZYQ
| Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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2N2O
| Structure of murine tumour necrosis factor alpha CDE RNA | Descriptor: | RNA (5'-R(P*GP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*UP*U)-3') | Authors: | Codutti, L, Leppek, K, Zalesak, J, Windeisen, V, Masiewicz, P, Stoecklin, G, Carlomagno, T. | Deposit date: | 2015-05-11 | Release date: | 2015-08-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin. Structure, 23, 2015
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1JST
| PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN A, CYCLIN-DEPENDENT KINASE-2, ... | Authors: | Russo, A.A, Jeffrey, P.D, Pavletich, N.P. | Deposit date: | 1996-07-03 | Release date: | 1997-01-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of cyclin-dependent kinase activation by phosphorylation. Nat.Struct.Biol., 3, 1996
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4EX6
| Crystal structure of the alnumycin P phosphatase AlnB | Descriptor: | AlnB, BORIC ACID, MAGNESIUM ION | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | Deposit date: | 2012-04-30 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 110, 2013
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5MO5
| Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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4YT9
| Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. | Descriptor: | GLYCEROL, Peptidylarginine deiminase, SODIUM ION | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2015-03-17 | Release date: | 2015-07-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
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5MOH
| Crystal structure of CK2alpha with ZT0583 bound. | Descriptor: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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