5FYU
 
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-Amino-4-methyl-1,3-dihydro-2H-indol-2-one (N10042a) | | Descriptor: | (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Pearce, N, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-09 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10042A
To be Published
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5FZM
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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6H08
 | | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution | | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Ortmayer, M, Levy, C, Green, A.P. | | Deposit date: | 2018-07-06 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code.
Acs Catalysis, 10, 2020
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6GFK
 | | delta-N METTL16 MTase domain | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
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5FYX
 | | Crystal structure of Drosophila NCS-1 bound to penothiazine FD16 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FREQUENIN 2, ... | | Authors: | Martinez-Gonzalez, L, Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. | | Deposit date: | 2016-03-10 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7QCQ
 | | VHH Z70 in interaction with PHF6 Tau peptide | | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
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6FBC
 | | KlenTaq DNA polymerase processing a modified primer - bearing the modification at the 3'-terminus of the primer. | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2017-12-19 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8OZ7
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5UYK
 | | 70S ribosome bound with cognate ternary complex not base-paired to A site codon (Structure I) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2017-02-24 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
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5FZ8
 | | Crystal structure of the catalytic domain of human JARID1B in complex with malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2016-03-11 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Malate
To be Published
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6SX2
 | | dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 1, RNA (5'-R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3') | | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | | Deposit date: | 2019-09-24 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.
Viruses, 12, 2020
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5FQJ
 | | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.271 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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8OR7
 | | Structure of a far-red induced allophycocyanin from Chroococcidiopsis thermalis sp. PCC 7203 | | Descriptor: | Allophycocyanin beta subunit apoprotein, PHYCOCYANOBILIN, POTASSIUM ION, ... | | Authors: | Zhou, L.J, Hoeppner, A, Wang, Y.Q, Zhao, K.H. | | Deposit date: | 2023-04-13 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic and biochemical analyses of a far-red allophycocyanin to address the mechanism of the super-red-shift.
Photosynth.Res., 2024
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5FUT
 | | Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | | Authors: | Serran-Aguilera, L, Denton, H, Rubio-Ruiz, B, Lopez-Gutierrez, B, Entrena, A, Izquierdo, L, Smith, T.K, Conejo-Garcia, A, Hurtado-Guerrero, R. | | Deposit date: | 2016-01-29 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death.
Sci.Rep., 6, 2016
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6UY5
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5FZA
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (N10072a) (ligand modelled based on PANDDA event map) | | Descriptor: | 1,2-ETHANEDIOL, 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-12 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)
To be Published
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6GKI
 | | Structure of E coli MlaC in Variously Loaded States | | Descriptor: | BROMIDE ION, GLYCEROL, Probable phospholipid-binding protein MlaC | | Authors: | Knowles, T.J, Lovering, A.L. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol, 4, 2019
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8BWI
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | | Descriptor: | Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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5FQQ
 | | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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8BWL
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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7YEI
 | | TR-SFX MmCPDII-DNA complex: 10 ns time-point collected in SACLA. Includes 10 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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6SY9
 | | Structure of the Legionella pneumophila response regulator LqsR | | Descriptor: | Response regulator | | Authors: | Hochstrasser, R, Hutter, C.A.J, Arnold, F.M, Baerlocher, K, Seeger, M.A, Hilbi, H. | | Deposit date: | 2019-09-27 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the Legionella response regulator LqsR reveals amino acids critical for phosphorylation and dimerization.
Mol.Microbiol., 113, 2020
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5FYR
 | | Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, myoinositol complex | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S. | | Deposit date: | 2016-03-09 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
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8BHY
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1ADB
 | | CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES | | Descriptor: | 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE, ALCOHOL DEHYDROGENASE, ETHANOL, ... | | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | | Deposit date: | 1993-12-13 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic studies of isosteric NAD analogues bound to alcohol dehydrogenase: specificity and substrate binding in two ternary complexes.
Biochemistry, 33, 1994
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