4ZZN
 
 | | Human ERK2 in complex with an inhibitor | | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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4ZXW
 | | Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose) | | Descriptor: | (1R)-1-(naphthalen-2-yl)ethane-1,2-diol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-domain type II peptide synthetase, ... | | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Crystal structure of SgcC5 protein from Streptomyces globisporus
To Be Published
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6HD5
 | | Cryo-EM structure of the ribosome-NatA complex | | Descriptor: | N-alpha-acetyltransferase NAT5, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1 | | Authors: | Knorr, A.G, Becker, T, Beckmann, R. | | Deposit date: | 2018-08-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019
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5A63
 | | Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
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5A1Q
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5A1V
 | | The structure of the COPI coat linkage I | | Descriptor: | ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ... | | Authors: | Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G. | | Deposit date: | 2015-05-06 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (21 Å) | | Cite: | Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly.
Science, 349, 2015
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5A70
 | | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis x tetrasaccharide | | Descriptor: | CALCIUM ION, LECB, SULFATE ION, ... | | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
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5ABB
 | | Visualization of a polytopic membrane protein during SecY-mediated membrane insertion | | Descriptor: | GREEN-LIGHT ABSORBING PROTEORHODOPSIN, PROTEIN TRANSLOCASE SUBUNIT SECE, PROTEIN TRANSLOCASE SUBUNIT SECY | | Authors: | Bischoff, L, Wickles, S, Berninghausen, O, vanderSluis, E, Beckmann, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-08-19 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Visualization of a Polytopic Membrane Protein During Secy-Mediated Membrane Insertion.
Nat.Commun., 5, 2014
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4ZZL
 | | MexR R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexAB-oprM efflux pump expression | | Descriptor: | GLYCEROL, MULTIDRUG RESISTANCE OPERON REPRESSOR | | Authors: | Anandapadamanaban, M, Pilstal, R, Ziauddin, J.M.E, Moche, M, Wallner, B, Sunnerhagen, M. | | Deposit date: | 2015-04-10 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Mutation-Induced Population Shift in the Mexr Conformational Ensemble Disengages DNA Binding: A Novel Mechanism for Marr Family Derepression.
Structure, 24, 2016
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5AG7
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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5AE5
 | | Structures of inactive and activated DntR provide conclusive evidence for the mechanism of action of LysR transcription factors | | Descriptor: | GLYCEROL, LYSR-TYPE REGULATORY PROTEIN | | Authors: | Lerche, M, Dian, C, Round, A, Lonneborg, R, Brzezinski, P, Leonard, G.A. | | Deposit date: | 2015-08-25 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | The Solution Configurations of Inactive and Activated Dntr Have Implications for the Sliding Dimer Mechanism of Lysr Transcription Factors.
Sci.Rep., 6, 2016
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5A74
 | | Crystal structure of the homing endonuclease I-CvuI in complex with its target (Sro1.3) in the presence of 2 mM Mn | | Descriptor: | 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*CP*TP*GP*AP)-3', 14MER DNA, ... | | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | | Deposit date: | 2015-07-02 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
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6HNW
 | | Human protein kinase CK2 alpha in complex with coumestrol | | Descriptor: | Casein kinase II subunit alpha, Coumestrol, SULFATE ION | | Authors: | Battistutta, R, Lolli, G. | | Deposit date: | 2018-09-17 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82, 2019
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6HO3
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4ZTK
 | | Transpeptidase domain of FtsI4 D,D-transpeptidase from Legionella pneumophila. | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cell division protein FtsI/penicillin binding protein 2 | | Authors: | CUFF, M, OSIPIUK, J, WU, R, ENDRES, M, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-14 | | Release date: | 2015-05-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Transpeptidase domain of FtsI4 D,D-transpeptidase from Legionella pneumophila.
to be published
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6HHD
 | | Mouse Prion Protein in complex with Nanobody 484 | | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | | Authors: | Soror, S, Abskharon, R, Wohlkonig, A. | | Deposit date: | 2018-08-28 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structural evidence for the critical role of the prion protein hydrophobic region in forming an infectious prion.
Plos Pathog., 15, 2019
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6HOC
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5A0M
 | | THE CRYSTAL STRUCTURE OF I-SCEI IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF MN | | Descriptor: | 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP)-3', 5'-D(*CP*AP*GP*GP*GP*TP*AP*AP*TP*AP*CP)-3', 5'-D(*CP*CP*CP*TP*AP*GP*CP*GP*TP)-3', ... | | Authors: | Prieto, J, Redondo, P, Merino, N, Villate, M, Blanco, F.J, Molina, R. | | Deposit date: | 2015-04-21 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the I-Scei Nuclease Complexed with its DsDNA Target and Three Catalytic Metal Ions.
Acta Crystallogr.,Sect.F, 72, 2016
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4ZYH
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6HL5
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954) | | Descriptor: | Apoptosis-stimulating of p53 protein 1, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J. | | Deposit date: | 2018-09-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954)
To Be Published
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5A20
 | | Structure of bacteriophage SPP1 head-to-tail interface filled with DNA and tape measure protein | | Descriptor: | 15 PROTEIN, HEAD COMPLETION PROTEIN GP16, MAJOR TAIL PROTEIN GP17.1, ... | | Authors: | Chaban, Y, Lurz, R, Brasiles, S, Cornilleau, C, Karreman, M, Zinn-Justin, S, Tavares, P, Orlova, E.V. | | Deposit date: | 2015-05-06 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Structural Rearrangements in the Phage Head-to-Tail Interface During Assembly and Infection.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6HOF
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6HUG
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-08 | | Release date: | 2019-01-02 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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6HOP
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6HUO
 | | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with alprazolam (Xanax), GABA and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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