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8CK4	STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol Descriptor: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 Authors: Musil, D. Deposit date: 2023-02-14 Release date: 2023-07-19 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
6VIP	TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 Descriptor: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone Authors: The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) Deposit date: 2020-01-13 Release date: 2020-02-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.36 Å) Cite: TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 to be published
7QNU	SMYD3 in complex with fragment FL08619 Descriptor: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... Authors: Lund, B.A, Cederfelt, D, Dobritzsch, D. Deposit date: 2021-12-22 Release date: 2023-04-05 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
6BGE	HELICOBACTER PYLORI ATPASE, HP0525, IN COMPLEX WITH 1G2 COMPOUND Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(pyridin-2-yl)oxy]benzoic acid, GLYCEROL, ... Authors: Arya, T, Casu, B, Baron, C. Deposit date: 2017-10-27 Release date: 2018-10-31 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: CagAlpha in complex with hexamer inhibitor To Be Published
6SJ5	Crystal structure of the uL14-RsfS complex from Staphylococcus aureus Descriptor: 50S ribosomal protein L14, ACETIC ACID, PHOSPHATE ION, ... Authors: Fatkhullin, B, Gabdulkhakov, A, Yusupova, G, Yusupov, M. Deposit date: 2019-08-12 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.26686549 Å) Cite: Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach. Nat Commun, 11, 2020
7QNR	SMYD3 in complex with fragment FL01791 Descriptor: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... Authors: Lund, B.A, Cederfelt, D, Dobritzsch, D. Deposit date: 2021-12-22 Release date: 2023-04-05 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
8AN4	MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv Descriptor: Bacterial toxin Authors: Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. Deposit date: 2022-08-04 Release date: 2023-08-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding. Nat Commun, 14, 2023
8AN5	MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv Descriptor: Bacterial toxin, Conserved protein Authors: Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. Deposit date: 2022-08-04 Release date: 2023-08-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.44 Å) Cite: MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding. Nat Commun, 14, 2023
4L99	Structure of the RBP from lactococcal phage 1358 in complex with glycerol Descriptor: GLYCEROL, Receptor Binding Protein, ZINC ION Authors: Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C. Deposit date: 2013-06-18 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism To be Published
8ADX	Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55 Descriptor: Phenolic acid decarboxylase N55, SULFATE ION Authors: Schruefer, A, Mokos, D, Gruber, K, Daniel, B. Deposit date: 2022-07-12 Release date: 2023-08-02 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Reconstructed ancestral sequences of bacterial phenolic acid decarboxylase show increased thermostability To Be Published
8CMB	Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... Authors: MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. Deposit date: 2023-02-19 Release date: 2023-07-26 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
7LT1	Structure of the cGAS-like receptor human MB21D2 Descriptor: Protein MB21D2, SULFATE ION Authors: Morehouse, B.R, Slavik, K.M, Kranzusch, P.J. Deposit date: 2021-02-18 Release date: 2021-07-21 Last modified: 2021-09-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila. Nature, 597, 2021
8SXZ	Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E. Deposit date: 2023-05-24 Release date: 2024-05-01 Last modified: 2024-08-07 Method: ELECTRON MICROSCOPY (3.26 Å) Cite: Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission. Dev.Cell, 59, 2024
8CMH	Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505 Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... Authors: MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. Deposit date: 2023-02-19 Release date: 2023-07-26 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
8T0R	Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state (full helix) Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E. Deposit date: 2023-06-01 Release date: 2024-05-01 Last modified: 2024-08-07 Method: ELECTRON MICROSCOPY (3.97 Å) Cite: Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission. Dev.Cell, 59, 2024
4L97	Structure of the RBP of lactococcal phage 1358 in complex with glucose-1-phosphate Descriptor: 1-O-phosphono-alpha-D-glucopyranose, Receptor Binding Protein Authors: Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C. Deposit date: 2013-06-18 Release date: 2014-04-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.61 Å) Cite: A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism To be Published
5YCR	X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with NAD+ Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION Authors: Kim, H.T. Deposit date: 2017-09-08 Release date: 2018-02-21 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis Biochem. Biophys. Res. Commun., 493, 2017
8T0K	Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E. Deposit date: 2023-06-01 Release date: 2024-05-01 Last modified: 2024-08-07 Method: ELECTRON MICROSCOPY (3.58 Å) Cite: Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission. Dev.Cell, 59, 2024
8SZ8	Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state (full helix) Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E. Deposit date: 2023-05-27 Release date: 2024-05-01 Last modified: 2024-08-07 Method: ELECTRON MICROSCOPY (3.55 Å) Cite: Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission. Dev.Cell, 59, 2024
5UCZ	Class II fructose-1,6-bisphosphate aldolase E149A variant of Helicobacter pylori with DHAP Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... Authors: Jacques, B, Sygusch, J. Deposit date: 2016-12-23 Release date: 2018-04-11 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. J. Biol. Chem., 293, 2018
5M0C	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-10-04 Release date: 2018-06-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.734 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To be Published
5M0L	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-10-05 Release date: 2018-06-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.465 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
6BQ5	Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with 5'-methylthioadenosine Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... Authors: Sekula, B, Dauter, Z. Deposit date: 2017-11-27 Release date: 2018-02-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of thermospermine synthase fromMedicago truncatulaand substrate discriminatory features of plant aminopropyltransferases. Biochem. J., 475, 2018
6BP0	Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC) Deposit date: 2017-11-21 Release date: 2017-12-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor To Be Published
5C0Y	Crystal structure of the Rrp6 catalytic domain bound to poly(U) RNA Descriptor: Exosome complex exonuclease RRP6, MAGNESIUM ION, poly U RNA Authors: Schuch, B, Conti, E. Deposit date: 2015-06-12 Release date: 2015-08-05 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: RNA degradation paths in a 12-subunit nuclear exosome complex. Nature, 524, 2015

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