8RHE
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7QDG
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![BU of 7qdg by Molmil](/molmil-images/mine/7qdg) | SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | Deposit date: | 2021-11-27 | Release date: | 2022-05-25 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation. Plos Pathog., 18, 2022
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8G8I
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8GAQ
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5NMB
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![BU of 5nmb by Molmil](/molmil-images/mine/5nmb) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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8RU8
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![BU of 8ru8 by Molmil](/molmil-images/mine/8ru8) | A crystal form of a human CDK2-CDK7 chimera | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2024-01-30 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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7Q6J
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![BU of 7q6j by Molmil](/molmil-images/mine/7q6j) | Crystal structure of the human GDAP1 CMT2 mutant-H123R | Descriptor: | DI(HYDROXYETHYL)ETHER, Ganglioside-induced differentiation-associated protein 1 | Authors: | Sutinen, A, Kursula, P. | Deposit date: | 2021-11-08 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1. Febs Open Bio, 12, 2022
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6Q07
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![BU of 6q07 by Molmil](/molmil-images/mine/6q07) | MERS-CoV S structure in complex with 2,6-sialyl-N-acetyl-lactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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8GAA
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8VSA
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![BU of 8vsa by Molmil](/molmil-images/mine/8vsa) | Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site of E. coli 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Teran, D, Zhang, Y, Korostelev, A.A. | Deposit date: | 2024-01-23 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon. Front Microbiol, 15, 2024
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6VYC
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![BU of 6vyc by Molmil](/molmil-images/mine/6vyc) | Crystal structure of WD-repeat domain of human WDR91 | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | Authors: | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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6XMJ
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![BU of 6xmj by Molmil](/molmil-images/mine/6xmj) | Human 20S proteasome bound to an engineered 11S (PA26) activator | Descriptor: | Proteasome activator protein PA26, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | de la Pena, A.H, Opoku-Nsiah, K.A, Williams, S.K, Chopra, N, Sali, A, Gestwicki, J.E, Lander, G.C. | Deposit date: | 2020-06-30 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The Y Phi motif defines the structure-activity relationships of human 20S proteasome activators. Nat Commun, 13, 2022
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5NN9
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![BU of 5nn9 by Molmil](/molmil-images/mine/5nn9) | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | Deposit date: | 1991-03-28 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. J.Mol.Biol., 221, 1991
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8RI9
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![BU of 8ri9 by Molmil](/molmil-images/mine/8ri9) | Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | Descriptor: | Alpha-synuclein | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | Deposit date: | 2023-12-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates. J.Am.Chem.Soc., 146, 2024
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5NO8
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![BU of 5no8 by Molmil](/molmil-images/mine/5no8) | Polysaccharide Lyase BACCELL_00875 | Descriptor: | BACCELL_00875, GLYCEROL | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | Deposit date: | 2017-04-11 | Release date: | 2017-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins. J. Biol. Chem., 292, 2017
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5NOP
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![BU of 5nop by Molmil](/molmil-images/mine/5nop) | Structure of Mojiang virus attachment glycoprotein | Descriptor: | Attachment glycoprotein, CHLORIDE ION | Authors: | Rissanen, I.R, Ahmed, A.A, Beaty, S, Azarm, K, Hong, P, Nambulli, S, Duprex, P.W, Lee, B, Bowden, T.A. | Deposit date: | 2017-04-12 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Idiosyncratic Mojiang virus attachment glycoprotein directs a host-cell entry pathway distinct from genetically related henipaviruses. Nat Commun, 8, 2017
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6NR6
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![BU of 6nr6 by Molmil](/molmil-images/mine/6nr6) | Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION | Authors: | Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2019-01-22 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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6Q4Z
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![BU of 6q4z by Molmil](/molmil-images/mine/6q4z) | Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose | Descriptor: | LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J. | Deposit date: | 2018-12-06 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | 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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6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | Deposit date: | 2018-12-21 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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6WMN
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6WT6
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![BU of 6wt6 by Molmil](/molmil-images/mine/6wt6) | Structure of a metazoan TIR-STING receptor from C. gigas | Descriptor: | Metazoan TIR-STING fusion | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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5NAI
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![BU of 5nai by Molmil](/molmil-images/mine/5nai) | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | Descriptor: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-28 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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7RE1
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![BU of 7re1 by Molmil](/molmil-images/mine/7re1) | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-12-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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8RDK
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![BU of 8rdk by Molmil](/molmil-images/mine/8rdk) | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | Authors: | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-12-08 | Release date: | 2024-03-06 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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6Q8G
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![BU of 6q8g by Molmil](/molmil-images/mine/6q8g) | Structure of Fucosylated D-antimicrobial peptide SB8 in complex with the Fucose-binding lectin PA-IIL at 1.190 Angstrom resolution | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | Deposit date: | 2018-12-14 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes. Acs Chem.Biol., 14, 2019
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