8OKN
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![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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6Q4X
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![BU of 6q4x by Molmil](/molmil-images/mine/6q4x) | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | Descriptor: | SODIUM ION, Uncharacterized protein | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | Deposit date: | 2018-12-06 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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6YAM
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![BU of 6yam by Molmil](/molmil-images/mine/6yam) | Mammalian 48S late-stage translation initiation complex (LS48S+eIF3 IC) with beta-globin mRNA | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ... | Authors: | Bochler, A, Simonetti, A, Guca, E, Hashem, Y. | Deposit date: | 2020-03-12 | Release date: | 2020-04-08 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Insights into the Mammalian Late-Stage Initiation Complexes. Cell Rep, 31, 2020
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7QEI
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![BU of 7qei by Molmil](/molmil-images/mine/7qei) | Structure of human MTHFD2L in complex with TH7299 | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2 | Authors: | Gustafsson, R, Scaletti, E.R, Stenmark, P. | Deposit date: | 2021-12-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The First Structure of Human MTHFD2L and Its Implications for the Development of Isoform-Selective Inhibitors. Chemmedchem, 17, 2022
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5MDX
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![BU of 5mdx by Molmil](/molmil-images/mine/5mdx) | Cryo-EM structure of the PSII supercomplex from Arabidopsis thaliana | Descriptor: | CHLOROPHYLL A, CHLOROPHYLL B, Chlorophyll a-b binding protein 1, ... | Authors: | van Bezouwen, L.S, Caffarri, S, Kale, R.S, Kouril, R, Thunnissen, A.M.W.H, Oostergetel, G.T, Boekema, E.J. | Deposit date: | 2016-11-13 | Release date: | 2017-06-21 | Last modified: | 2019-04-24 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Subunit and chlorophyll organization of the plant photosystem II supercomplex. Nat Plants, 3, 2017
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6QA8
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![BU of 6qa8 by Molmil](/molmil-images/mine/6qa8) | Glycogen Phosphorylase b in complex with 28 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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7A0S
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![BU of 7a0s by Molmil](/molmil-images/mine/7a0s) | 50S Deinococcus radiodurans ribosome bounded with mycinamicin I | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | Deposit date: | 2020-08-10 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida. Nucleic Acids Res., 49, 2021
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6NB1
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![BU of 6nb1 by Molmil](/molmil-images/mine/6nb1) | Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06 | Descriptor: | ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide | Authors: | Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F. | Deposit date: | 2018-12-06 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores. Commun Biol, 2, 2019
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7P19
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![BU of 7p19 by Molmil](/molmil-images/mine/7p19) | |
6X2N
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![BU of 6x2n by Molmil](/molmil-images/mine/6x2n) | Mfd-bound E.coli RNA polymerase elongation complex - I state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-20 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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5NB8
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![BU of 5nb8 by Molmil](/molmil-images/mine/5nb8) | Structure of vWC domain from CCN3 | Descriptor: | GLYCEROL, IMIDAZOLE, Protein NOV homolog | Authors: | Xu, E.-R, Hyvonen, M. | Deposit date: | 2017-03-01 | Release date: | 2017-06-14 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2. J. Biol. Chem., 292, 2017
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6XP1
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6QEL
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![BU of 6qel by Molmil](/molmil-images/mine/6qel) | E. coli DnaBC apo complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ... | Authors: | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | Deposit date: | 2019-01-08 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA. Mol.Cell, 74, 2019
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8R1C
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![BU of 8r1c by Molmil](/molmil-images/mine/8r1c) | SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2023-11-01 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86. Nat Commun, 15, 2024
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6QG9
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![BU of 6qg9 by Molmil](/molmil-images/mine/6qg9) | Crystal structure of Ideonella sakaiensis MHETase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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8R1D
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![BU of 8r1d by Molmil](/molmil-images/mine/8r1d) | SD1-3 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-3 Fab Heavy Chain, SD1-3 Fab Light Chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2023-11-01 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86. Nat Commun, 15, 2024
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8G9Q
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![BU of 8g9q by Molmil](/molmil-images/mine/8g9q) | Tricomplex of Compound-1, KRAS G12C, and CypA | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-02-21 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS. Science, 381, 2023
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8G9P
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![BU of 8g9p by Molmil](/molmil-images/mine/8g9p) | Tricomplex of RMC-4998, KRAS G12C, and CypA | Descriptor: | (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2023-02-21 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS. Science, 381, 2023
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7U5E
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![BU of 7u5e by Molmil](/molmil-images/mine/7u5e) | I-F3b Cascade-TniQ partial R-loop complex | Descriptor: | Cas6, Cas7, Cas8/5, ... | Authors: | Park, J.U, Mehrotra, E, Kellogg, E.H. | Deposit date: | 2022-03-02 | Release date: | 2023-06-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Multiple adaptations underly co-option of a CRISPR surveillance complex for RNA-guided DNA transposition. Mol.Cell, 83, 2023
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8R0J
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![BU of 8r0j by Molmil](/molmil-images/mine/8r0j) | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ... | Authors: | Milani, M, Fagnani, E. | Deposit date: | 2023-10-31 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface. Comput Struct Biotechnol J, 23, 2024
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7U5D
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![BU of 7u5d by Molmil](/molmil-images/mine/7u5d) | I-F3b Cascade-TniQ full R-loop complex | Descriptor: | Cas6, Cas7, Cas8/5, ... | Authors: | Park, J.U, Mehrotra, E, Kellogg, E.H. | Deposit date: | 2022-03-02 | Release date: | 2023-06-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Multiple adaptations underly co-option of a CRISPR surveillance complex for RNA-guided DNA transposition. Mol.Cell, 83, 2023
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8R02
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![BU of 8r02 by Molmil](/molmil-images/mine/8r02) | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | Descriptor: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | Authors: | Milani, M, Fagnani, E. | Deposit date: | 2023-10-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface. Comput Struct Biotechnol J, 23, 2024
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6X2F
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![BU of 6x2f by Molmil](/molmil-images/mine/6x2f) | Mfd-bound E.coli RNA polymerase elongation complex - L2 state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-20 | Release date: | 2021-02-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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6GGM
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![BU of 6ggm by Molmil](/molmil-images/mine/6ggm) | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | Deposit date: | 2018-05-03 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding. Nat Commun, 9, 2018
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3K0J
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![BU of 3k0j by Molmil](/molmil-images/mine/3k0j) | Crystal structure of the E. coli ThiM riboswitch in complex with thiamine pyrophosphate and the U1A crystallization module | Descriptor: | MAGNESIUM ION, RNA (87-MER), THIAMINE DIPHOSPHATE, ... | Authors: | Kulshina, N, Edwards, T.E, Ferre-D'Amare, A.R. | Deposit date: | 2009-09-24 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. Rna, 16, 2010
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