8AJ0
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![BU of 8aj0 by Molmil](/molmil-images/mine/8aj0) | Mpro of SARS COV-2 in complex with the RK-90 inhibitor | Descriptor: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor RK-90 To Be Published
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6GWE
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![BU of 6gwe by Molmil](/molmil-images/mine/6gwe) | Crystal structure of Thrombin bound to P2 macrocycle | Descriptor: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C. | Deposit date: | 2018-06-23 | Release date: | 2019-09-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands. Sci Adv, 5, 2019
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6S08
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![BU of 6s08 by Molmil](/molmil-images/mine/6s08) | Crystal Structure of Properdin (TSR domains N1 & 456) | Descriptor: | Properdin, SODIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | van den Bos, R.M, Pearce, N.M, Gros, P. | Deposit date: | 2019-06-14 | Release date: | 2019-09-04 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b. Front Immunol, 10, 2019
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6RZ4
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![BU of 6rz4 by Molmil](/molmil-images/mine/6rz4) | Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | Authors: | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv, 5, 2019
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8AEB
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![BU of 8aeb by Molmil](/molmil-images/mine/8aeb) | SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ... | Authors: | Hanoulle, X, Charton, J, Deprez, B. | Deposit date: | 2022-07-12 | Release date: | 2023-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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8AHQ
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![BU of 8ahq by Molmil](/molmil-images/mine/8ahq) | VirD/holo-ACP5b of Streptomyces virginiae complex | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ... | Authors: | Collin, S, Gruez, A. | Deposit date: | 2022-07-22 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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5HCJ
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![BU of 5hcj by Molmil](/molmil-images/mine/5hcj) | Cationic Ligand-Gated Ion Channel | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ... | Authors: | Shahsavar, A, Sauguet, L, Delarue, M. | Deposit date: | 2016-01-04 | Release date: | 2016-04-13 | Last modified: | 2016-04-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel. Structure, 24, 2016
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8AFV
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![BU of 8afv by Molmil](/molmil-images/mine/8afv) | DaArgC3 - Engineered Formyl Phosphate Reductase with 3 substitutions (S178V, G182V, L233I) | Descriptor: | N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION | Authors: | Pfister, P, Nattermann, M, Zarzycki, J, Erb, T.J. | Deposit date: | 2022-07-18 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | N-acetyl-gamma-glutamyl-phosphate reductase of Denitrovibrio acetiphilus To Be Published
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7Z6J
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![BU of 7z6j by Molmil](/molmil-images/mine/7z6j) | |
7YRQ
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![BU of 7yrq by Molmil](/molmil-images/mine/7yrq) | Cryo-EM structure of human Peroxisomal ABC Transporter ABCD1 | Descriptor: | ATP-binding cassette sub-family D member 1, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate | Authors: | Chao, X, Li-Na, J, Lin, T. | Deposit date: | 2022-08-10 | Release date: | 2023-03-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP. Signal Transduct Target Ther, 8, 2023
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5EFI
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![BU of 5efi by Molmil](/molmil-images/mine/5efi) | Crystal structure of mouse CD1d in complex with the p99p lipopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Girardi, E, Wang, J, Zajonc, D.M. | Deposit date: | 2015-10-23 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of an alpha-Helical Peptide and Lipopeptide Bound to the Nonclassical Major Histocompatibility Complex (MHC) Class I Molecule CD1d. J.Biol.Chem., 291, 2016
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7Z6T
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![BU of 7z6t by Molmil](/molmil-images/mine/7z6t) | Aspergillus clavatus M36 protease without the propeptide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Extracellular metalloproteinase mep, ... | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | Deposit date: | 2022-03-14 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Aspergillus clavatus M36 protease without the propeptide To Be Published
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7Z3U
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![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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5EIV
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![BU of 5eiv by Molmil](/molmil-images/mine/5eiv) | Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W. | Deposit date: | 2015-10-30 | Release date: | 2015-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | Structural basis for collagen recognition by the immune receptor OSCAR. Blood, 127, 2016
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6T2Q
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![BU of 6t2q by Molmil](/molmil-images/mine/6t2q) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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6TSN
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![BU of 6tsn by Molmil](/molmil-images/mine/6tsn) | Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2019-12-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
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6T57
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![BU of 6t57 by Molmil](/molmil-images/mine/6t57) | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative To Be Published
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7YQN
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![BU of 7yqn by Molmil](/molmil-images/mine/7yqn) | Crystal structure of Ecoli malate synthase G | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, K.-P, Lu, Y.-C, Ko, T.-P. | Deposit date: | 2022-08-08 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cryo-EM reveals the structure and dynamics of a 723-residue malate synthase G. J.Struct.Biol., 215, 2023
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5G3L
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![BU of 5g3l by Molmil](/molmil-images/mine/5g3l) | ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR | Descriptor: | HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ... | Authors: | Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib. Biochem.J., 473, 2016
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7Z9P
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![BU of 7z9p by Molmil](/molmil-images/mine/7z9p) | The novel DNA binding mechanism of ridinilazole, a precision Clostridiodes difficile antibiotic | Descriptor: | DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G*(RID))-3'), Ridinilazole, SODIUM ION, ... | Authors: | Mason, S, Leonard, P.M. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Novel DNA Binding Mechanism of Ridinilazole, a Precision Clostridiodes difficile Antibiotic. Antimicrob.Agents Chemother., 67, 2023
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8ALM
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![BU of 8alm by Molmil](/molmil-images/mine/8alm) | |
8AHY
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![BU of 8ahy by Molmil](/molmil-images/mine/8ahy) | |
8ALH
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![BU of 8alh by Molmil](/molmil-images/mine/8alh) | |
5DGR
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![BU of 5dgr by Molmil](/molmil-images/mine/5dgr) | Crystal structure of GH9 exo-beta-D-glucosaminidase PBPRA0520, glucosamine complex | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, Putative endoglucanase-related protein, SODIUM ION | Authors: | Suzuki, K, Honda, Y, Fushinobu, S. | Deposit date: | 2015-08-28 | Release date: | 2015-12-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of an inverting glycoside hydrolase family 9 exo-beta-D-glucosaminidase and the design of glycosynthase. Biochem.J., 473, 2016
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8AWK
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![BU of 8awk by Molmil](/molmil-images/mine/8awk) | Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | Descriptor: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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