7W44
 
 | | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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4MW7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) | | Descriptor: | 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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7T5H
 | | Structure of rabies virus phosphoprotein C-terminal domain, wild type | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Phosphoprotein, ... | | Authors: | Zhan, J, Metcalfe, R.D, Gooley, P.R, Griffin, M.D.W. | | Deposit date: | 2021-12-12 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular Basis of Functional Effects of Phosphorylation of the C-Terminal Domain of the Rabies Virus P Protein.
J.Virol., 96, 2022
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7T5G
 | | Structure of rabies virus phosphoprotein C-terminal domain, S210E mutant | | Descriptor: | Phosphoprotein, SULFATE ION | | Authors: | Zhan, J, Metcalfe, R.D, Gooley, P.R, Griffin, M.D.W. | | Deposit date: | 2021-12-12 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Basis of Functional Effects of Phosphorylation of the C-Terminal Domain of the Rabies Virus P Protein.
J.Virol., 96, 2022
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7O2I
 | | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 | | Descriptor: | DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | Authors: | Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. | | Deposit date: | 2021-03-30 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
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3CM1
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6EU8
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1P56
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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5OJ5
 | | YCF48 bound to D1 peptide | | Descriptor: | PHE-PRO-LEU-ASP-LEU-ALA, Ycf48-like protein | | Authors: | Michoux, F, Nixon, P.J, Murray, J.W. | | Deposit date: | 2017-07-20 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 115, 2018
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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1PBE
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5JST
 | | MBP fused MDV1 coiled coil | | Descriptor: | ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein,Mitochondrial division protein 1, ... | | Authors: | Kim, B.-W, Song, H.K. | | Deposit date: | 2016-05-09 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | ACCORD: an assessment tool to determine the orientation of homodimeric coiled-coils.
Sci Rep, 7, 2017
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1AVP
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8UQZ
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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6EXN
 | | Post-catalytic P complex spliceosome with 3' splice site docked | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ... | | Authors: | Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K. | | Deposit date: | 2017-11-08 | | Release date: | 2018-01-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection.
Science, 358, 2017
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6EYN
 | | Structure of the 8D6 (anti-IgE) Fab | | Descriptor: | 1,2-ETHANEDIOL, 8D6 Fab heavy chain, 8D6 Fab light chain, ... | | Authors: | Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M. | | Deposit date: | 2017-11-13 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
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5J3R
 | | Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLUTATHIONE, Monothiol glutaredoxin-6 | | Authors: | Abdalla, M, Dai, Y.-N, Chi, C.-B, Cheng, W, Cao, D.-D, Zhou, K, Ali, W, Chen, Y, Zhou, C.-Z. | | Deposit date: | 2016-03-31 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster
Acta Crystallogr.,Sect.F, 72, 2016
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6F6Z
 | | Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | | Deposit date: | 2017-12-06 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies
Int J Mol Sci, 22, 2021
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8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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4EGO
 | | The X-ray crystal structure of CYP199A4 in complex with indole-6-carboxylic acid | | Descriptor: | 1H-indole-6-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
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6FBV
 | | Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Das, K, Lin, W, Ebright, E. | | Deposit date: | 2017-12-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
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6F5D
 | | Trypanosoma brucei F1-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ... | | Authors: | Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E. | | Deposit date: | 2017-12-01 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7QV7
 | | Cryo-EM structure of Hydrogen-dependent CO2 reductase. | | Descriptor: | Hydrogen dependent carbon dioxide reductase subunit FdhF, Hydrogen dependent carbon dioxide reductase subunit HycB3, Hydrogen dependent carbon dioxide reductase subunit HycB4, ... | | Authors: | Dietrich, H.M, Righetto, R.D, Kumar, A, Wietrzynski, W, Schuller, S.K, Trischler, R, Wagner, J, Schwarz, F.M, Engel, B.D, Mueller, V, Schuller, J.M. | | Deposit date: | 2022-01-19 | | Release date: | 2022-07-06 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation.
Nature, 607, 2022
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5J8D
 | | Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide | | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | | Deposit date: | 2016-04-07 | | Release date: | 2017-05-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
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