8P88
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![BU of 8p88 by Molmil](/molmil-images/mine/8p88) | |
8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P6F
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![BU of 8p6f by Molmil](/molmil-images/mine/8p6f) | Crystal structure of PorX-Fj | Descriptor: | ACETATE ION, MAGNESIUM ION, Response regulator receiver domain-containing protein, ... | Authors: | Leone, P. | Deposit date: | 2023-05-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity. Sci Rep, 14, 2024
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8P5F
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![BU of 8p5f by Molmil](/molmil-images/mine/8p5f) | Human wild-type GAPDH,orthorhombic form | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Samygina, V.R, Muronetz, V.I, Schmalhausen, E.V. | Deposit date: | 2023-05-24 | Release date: | 2023-07-05 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | S-nitrosylation and S-glutathionylation of GAPDH: Similarities, differences, and relationships. Biochim Biophys Acta Gen Subj, 1867, 2023
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P3M
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![BU of 8p3m by Molmil](/molmil-images/mine/8p3m) | The structure of thiocyanate dehydrogenase mutant form with Lys 281 replaced by Ala from Thioalkalivibrio paradoxus | Descriptor: | BORIC ACID, COPPER (II) ION, SODIUM ION, ... | Authors: | Varfolomeeva, L.A, Polyakov, K.M, Komolov, A.S, Rakitina, T.V, Dergousova, N.I, Dorovatovskii, P.V, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2023-05-18 | Release date: | 2023-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Improvement of the Diffraction Properties of Thiocyanate Dehydrogenase Crystals Crystallography Reports, 2023
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8P1G
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![BU of 8p1g by Molmil](/molmil-images/mine/8p1g) | Crystal structure of inactive TtCE16 in complex with acetate | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | Deposit date: | 2023-05-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
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8P0Z
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![BU of 8p0z by Molmil](/molmil-images/mine/8p0z) | AP01-S2.3 - a variant of a redesigned transferrin receptor apical domain | Descriptor: | BORIC ACID, SODIUM ION, Transferrin receptor protein 1, ... | Authors: | Oberdorfer, G, Grill, B, Bjelic, S, Stoll, D. | Deposit date: | 2023-05-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Affinity Maturated Transferrin Receptor Apical Domain Blocks Machupo Virus Glycoprotein Binding. J.Mol.Biol., 435, 2023
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8OZA
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![BU of 8oza by Molmil](/molmil-images/mine/8oza) | Human cathepsin L in complex with covalently bound CA-074 methyl ester | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-05-08 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8OZ1
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![BU of 8oz1 by Molmil](/molmil-images/mine/8oz1) | CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ... | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-05-06 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
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8OYI
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![BU of 8oyi by Molmil](/molmil-images/mine/8oyi) | particulate methane monooxygenase with 2,2,2-trifluoroethanol bound | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Tucci, F.J, Rosenzweig, A.C. | Deposit date: | 2023-05-04 | Release date: | 2023-11-08 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Product analog binding identifies the copper active site of particulate methane monooxygenase. Nat Catal, 6, 2023
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8OX1
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![BU of 8ox1 by Molmil](/molmil-images/mine/8ox1) | Structure of TRF1core in complex with telomeric nucleosome | Descriptor: | Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, Histone H3.1, ... | Authors: | Hu, H, van Roon, A.M.M, Ghanim, G.E, Ahsan, B, Oluwole, A, Peak-Chew, S, Robinson, C.V, Nguyen, T.H.D. | Deposit date: | 2023-04-28 | Release date: | 2023-08-30 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of telomeric nucleosome recognition by shelterin factor TRF1. Sci Adv, 9, 2023
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8OX0
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![BU of 8ox0 by Molmil](/molmil-images/mine/8ox0) | Structure of apo telomeric nucleosome | Descriptor: | Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, Histone H3.1, ... | Authors: | Hu, H, van Roon, A.M.M, Ghanim, G.E, Ahsan, B, Oluwole, A, Peak-Chew, S, Robinson, C.V, Nguyen, T.H.D. | Deposit date: | 2023-04-28 | Release date: | 2023-08-30 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structural basis of telomeric nucleosome recognition by shelterin factor TRF1. Sci Adv, 9, 2023
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8OWT
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![BU of 8owt by Molmil](/molmil-images/mine/8owt) | |
8OWR
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![BU of 8owr by Molmil](/molmil-images/mine/8owr) | |
8OWP
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![BU of 8owp by Molmil](/molmil-images/mine/8owp) | |
8OW1
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![BU of 8ow1 by Molmil](/molmil-images/mine/8ow1) | Cryo-EM structure of the yeast Inner kinetochore bound to a CENP-A nucleosome. | Descriptor: | C0N3, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ... | Authors: | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D. | Deposit date: | 2023-04-26 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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8OW0
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![BU of 8ow0 by Molmil](/molmil-images/mine/8ow0) | Cryo-EM structure of CBF1-CCAN bound topologically to a centromeric CENP-A nucleosome | Descriptor: | C0N3 DNA, Centromere-binding protein 1, Histone H2A.1, ... | Authors: | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D. | Deposit date: | 2023-04-26 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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8OVS
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![BU of 8ovs by Molmil](/molmil-images/mine/8ovs) | |
8OVP
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![BU of 8ovp by Molmil](/molmil-images/mine/8ovp) | X-ray structure of the iAspSnFR in complex with L-aspartate | Descriptor: | ACETATE ION, ASPARTIC ACID, MAGNESIUM ION, ... | Authors: | Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K. | Deposit date: | 2023-04-26 | Release date: | 2023-05-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray structure of the SF-iAspSnFR in complex with L-aspartate To Be Published
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8OTT
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![BU of 8ott by Molmil](/molmil-images/mine/8ott) | MYC-MAX bound to a nucleosome at SHL+5.8 | Descriptor: | DNA (144-MER), Histone H2A type 1-B/E, Histone H2A type 1-K, ... | Authors: | Stoos, L, Michael, A.K, Kempf, G, Kater, L, Cavadini, S, Thoma, N. | Deposit date: | 2023-04-21 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cooperation between bHLH transcription factors and histones for DNA access. Nature, 619, 2023
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8OTS
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![BU of 8ots by Molmil](/molmil-images/mine/8ots) | OCT4 and MYC-MAX co-bound to a nucleosome | Descriptor: | DNA (127-MER), Green fluorescent protein,POU domain, class 5, ... | Authors: | Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N. | Deposit date: | 2023-04-21 | Release date: | 2023-05-24 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cooperation between bHLH transcription factors and histones for DNA access. Nature, 619, 2023
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8OTM
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![BU of 8otm by Molmil](/molmil-images/mine/8otm) | structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | Authors: | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | Deposit date: | 2023-04-21 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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8OTL
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![BU of 8otl by Molmil](/molmil-images/mine/8otl) | structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol | Descriptor: | 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ... | Authors: | Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L. | Deposit date: | 2023-04-21 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors. Bioorg.Chem., 143, 2023
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8OT2
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![BU of 8ot2 by Molmil](/molmil-images/mine/8ot2) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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