6H52
 
 | | Crystal structure of human KDM5B in complex with compound 34g | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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3PAW
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6H1L
 | | Structure of the BM3 heme domain in complex with tioconazole | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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3PAA
 | | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-01 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
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6GZ5
 | | tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-3 (TI-POST-3) | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-05 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis.
Cell Rep, 25, 2018
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7UAW
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR | | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase | | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2022-03-14 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
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7UHY
 | | Human GATOR2 complex | | Descriptor: | GATOR complex protein MIOS, GATOR complex protein WDR24, GATOR complex protein WDR59, ... | | Authors: | Rogala, K.B, Valenstein, M.L, Lalgudi, P.V. | | Deposit date: | 2022-03-27 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structure of the nutrient-sensing hub GATOR2.
Nature, 607, 2022
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7UZQ
 | | Local refinement of RhAG-RhCE-ANK1(AR1-5), from consensus refinement of all classes | | Descriptor: | Ammonium transporter Rh type A, Ankyrin-1, Blood group Rh(CE) polypeptide, ... | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-09 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.17 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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6ZP8
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB335 | | Descriptor: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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3P0A
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6ZWM
 | | cryo-EM structure of human mTOR complex 2, overall refinement | | Descriptor: | ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T. | | Deposit date: | 2020-07-28 | | Release date: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The 3.2- angstrom resolution structure of human mTORC2.
Sci Adv, 6, 2020
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3OJ2
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7A1H
 | | Crystal structure of wild-type CI2 | | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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3OKJ
 | | Alpha-keto-aldehyde binding mechanism reveals a novel lead structure motif for proteasome inhibition | | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Poynor, M, Gallastegui, P, Stein, M, Schmidt, B, Kloetzel, P.M, Huber, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-06-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Elucidation of the alpha-keto-aldehyde binding mechanism: a lead structure motif for proteasome inhibition
Angew.Chem.Int.Ed.Engl., 50, 2011
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6H1O
 | | Structure of the BM3 heme domain in complex with voriconazole | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.734 Å) | | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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7ADE
 | | Transcription termination complex IVa | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, C.M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
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6P22
 | | Photorhabdus Virulence Cassette (PVC) PAAR repeat protein Pvc10 in complex with a T4 gp5 beta-helix fragment modified to mimic Pvc8, the central spike protein of PVC | | Descriptor: | 9-OCTADECENOIC ACID, CHIMERA OF CENTRAL SPIKE PROTEINS GP5 FROM PHAGE T4 AND PVC8 FROM PVC, MAGNESIUM ION, ... | | Authors: | Buth, S.A, Shneider, M.M, Leiman, P.G. | | Deposit date: | 2019-05-20 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Photorhabdus Virulence Cassette (PVC) PAAR repeat protein Pvc10 in complex with a T4 gp5 beta-helix fragment modified to mimic Pvc8, the central spike protein of PVC
To Be Published
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6P2A
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7UN9
 | | SfSTING with c-di-GMP double fiber | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12 | | Authors: | Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J. | | Deposit date: | 2022-04-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
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6ILS
 | | Structure of Arabidopsis thaliana Ribokinase complexed with Ribose and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ribokinase, SODIUM ION, ... | | Authors: | Kang, P, Oh, J, Rhee, S. | | Deposit date: | 2018-10-19 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
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7U9Q
 | | Structure of PKA phosphorylated human RyR2 in the closed state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | Authors: | Miotto, M.C, Marks, A.R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment.
Sci Adv, 8, 2022
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3OJ5
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7U9X
 | | Structure of PKA phosphorylated human RyR2-R2474S in the closed state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | Authors: | Miotto, M.C, Marks, A.R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment.
Sci Adv, 8, 2022
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7UI5
 | | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9 | | Descriptor: | CALCIUM ION, Protein S100-A9 | | Authors: | Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J. | | Deposit date: | 2022-03-28 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UA3
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