6QAG
 
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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8SM3
 | | Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex | | Descriptor: | Endonuclease GajA, Gabija protein GajB, SULFATE ION | | Authors: | Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J. | | Deposit date: | 2023-04-25 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
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6HT2
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6YRS
 | | Structure of a new variant of GNCA ancestral beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | | Deposit date: | 2020-04-20 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity.
Nat Commun, 12, 2021
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6QAT
 | | Crystal structure of ULK2 in complexed with hesperadin | | Descriptor: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
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7KLX
 | | Protein Tyrosine Phosphatase 1B with inhibitor | | Descriptor: | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | | Deposit date: | 2020-11-01 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
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5FC8
 | | Mouse importin alpha: Dengue 3 NS5 C-terminal NLS peptide complex | | Descriptor: | Importin subunit alpha-1, Nonstructural protein 5 | | Authors: | Smith, K.M, Forwood, J.K. | | Deposit date: | 2015-12-15 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
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6CPB
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6Q3B
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6YMZ
 | | Structure of the CheB methylsterase from P. atrosepticum SCRI1043 | | Descriptor: | ACETATE ION, GLYCEROL, Protein-glutamate methylesterase/protein-glutamine glutaminase, ... | | Authors: | Gavira, J.A, Krell, T, Velando-Soriano, F, Matilla, M.A. | | Deposit date: | 2020-04-10 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence for Pentapeptide-Dependent and Independent CheB Methylesterases.
Int J Mol Sci, 21, 2020
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6CPN
 | | Crystal structure of DR11 presenting the RQ13 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gag polyprotein, ... | | Authors: | Farenc, C, Gras, S, Rossjohn, J. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
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8AEU
 | | Structure of hMDM2 in complex with Nutlin-3a-aa | | Descriptor: | 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T. | | Deposit date: | 2022-07-13 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023
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7QFZ
 | | BrxR, a WYL-domain containing transcriptional regulator | | Descriptor: | SULFATE ION, WYL domain-containing protein | | Authors: | Picton, D.M, Blower, T.R. | | Deposit date: | 2021-12-07 | | Release date: | 2022-05-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands.
Nucleic Acids Res., 50, 2022
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6YPO
 | | Arabidopsis aspartate transcarbamoylase bound to UMP | | Descriptor: | GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE | | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | | Deposit date: | 2020-04-16 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
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6HTN
 | | Structure of a fucose lectin from Kordia zhangzhouensis in complex with methyl-fucoside | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Varrot, A. | | Deposit date: | 2018-10-04 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Architecture and Evolution of Blade Assembly in beta-propeller Lectins.
Structure, 27, 2019
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5VXG
 | | Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ... | | Authors: | Jensen, M.R, Wilmot, C.M. | | Deposit date: | 2017-05-23 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
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7QF1
 | | Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2.6264 heavy chain, CV2.6264 light chain, ... | | Authors: | Fernandez, I, Pederzoli, R, Rey, F.A. | | Deposit date: | 2021-12-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
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8AUD
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6H9F
 | | Structure of glutamate mutase reconstituted with bishomo-coenzyme B12 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, COBALAMIN, D(-)-TARTARIC ACID, ... | | Authors: | Gruber, K, Csitkovits, V, Kratky, C. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Demystification of Radical Catalysis by a Coenzyme B 12 Dependent Enzyme-Crystallographic Study of Glutamate Mutase with Cofactor Homologues.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7QPN
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5VDS
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8SMJ
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6H87
 | | MamM CTD D249N - Zinc form | | Descriptor: | BETA-MERCAPTOETHANOL, CARBON DIOXIDE, Magnetosome protein MamM, ... | | Authors: | Barber-Zucker, S, Zarivach, R. | | Deposit date: | 2018-08-02 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | MamM CTD D249N - Zinc form
To Be Published
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7QIE
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6CQ6
 | | K2P2.1(TREK-1) apo structure | | Descriptor: | CADMIUM ION, DECANE, POTASSIUM ION, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2018-03-14 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
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