8W35
 
 | | Aca2 from Pectobacterium phage ZF40 bound to RNA | | Descriptor: | Anti-CRISPR associated (Aca) protein, Aca2, IR2 and IR-RBS RNA | | Authors: | Wilkinson, M.E, Birkholz, N, Kimanius, D, Fineran, P.C. | | Deposit date: | 2024-02-21 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Phage anti-CRISPR control by an RNA- and DNA-binding helix-turn-helix protein.
Nature, 631, 2024
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4S15
 | | Crystal structure of the orphan nuclear receptor RORalpha ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8) | | Descriptor: | (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid, GLYCEROL, Nuclear receptor ROR-alpha, ... | | Authors: | Huang, P, Santori, F.R, Littman, D.R, Rastinejad, F. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Identification of Natural ROR gamma Ligands that Regulate the Development of Lymphoid Cells.
Cell Metab, 21, 2015
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4RWN
 | | Crystal structure of the pre-reactive state of porcine OAS1 | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
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4RWO
 | | Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
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3KB2
 | | Crystal Structure of YorR protein in complex with phosphorylated GDP from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR256 | | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION, SPBc2 prophage-derived uncharacterized protein yorR | | Authors: | Forouhar, F, Friedman, D, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Ho, C, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-20 | | Release date: | 2009-10-27 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Northeast Structural Genomics Consortium Target SR256
To be Published
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7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | Descriptor: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | Authors: | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | Deposit date: | 2020-09-04 | | Release date: | 2020-09-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1Z19
 | | Crystal structure of a lambda integrase(75-356) dimer bound to a COC' core site | | Descriptor: | 33-MER, 5'-D(*CP*TP*CP*GP*TP*TP*CP*AP*GP*CP*TP*TP*TP*TP*TP*T)-3', 5'-D(P*TP*TP*TP*AP*TP*AP*CP*TP*AP*AP*GP*TP*TP*GP*GP*CP*AP*TP*TP*A)-3', ... | | Authors: | Biswas, T, Aihara, H, Radman-Livaja, M, Filman, D, Landy, A, Ellenberger, T. | | Deposit date: | 2005-03-03 | | Release date: | 2005-06-28 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A structural basis for allosteric control of DNA recombination by lambda integrase.
Nature, 435, 2005
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6YH0
 | | Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate | | Descriptor: | Agglutinin, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Cordara, G, Manna, D, Krengel, U. | | Deposit date: | 2020-03-28 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
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6XA9
 | | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | | Deposit date: | 2020-06-04 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
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5WIT
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with pikromycin and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | | Descriptor: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2017-07-20 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
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5WIS
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with methymycin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution | | Descriptor: | (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S. | | Deposit date: | 2017-07-20 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
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6XGU
 | | Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6YL6
 | | Cdk2(F80C) | | Descriptor: | Cyclin-dependent kinase 2 | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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6XAA
 | | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | | Deposit date: | 2020-06-04 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
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6XI7
 | | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I) | | Descriptor: | CHLORIDE ION, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | Authors: | Chan, A.H, Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6XHA
 | | Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6XGV
 | | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6XHB
 | | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II) | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6YL1
 | | Cdk2(F80C) with Covalent Adduct TK37 at F80C | | Descriptor: | Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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6YEZ
 | | Plant PSI-ferredoxin-plastocyanin supercomplex | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
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6WS4
 | | Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T.H, Simanshu, D.K. | | Deposit date: | 2020-04-30 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
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6WS2
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6YLK
 | | Cdk2(F80C) with Covalent Adduct TK22 at F80C | | Descriptor: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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6YAC
 | | Plant PSI-ferredoxin supercomplex | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | | Deposit date: | 2020-03-12 | | Release date: | 2020-09-30 | | Last modified: | 2020-10-21 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
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6XA2
 | | Structure of the tirandamycin C-bound P450 monooxygenase TamI | | Descriptor: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI | | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
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