7M6M
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![BU of 7m6m by Molmil](/molmil-images/mine/7m6m) | Full length alpha1 Glycine receptor in presence of 32uM Tetrahydrocannabinol | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Kumar, A, Chakrapani, S. | Deposit date: | 2021-03-26 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs. Nat Commun, 13, 2022
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7M6N
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7M6Q
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![BU of 7m6q by Molmil](/molmil-images/mine/7m6q) | Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 1 | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | Authors: | Kumar, A, Chakrapani, S. | Deposit date: | 2021-03-26 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs. Nat Commun, 13, 2022
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7ANW
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![BU of 7anw by Molmil](/molmil-images/mine/7anw) | hSARM1 NAD+ complex | Descriptor: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Mim, C, Isupov, M.N, Zalk, R, Dessau, M, Hons, M, Opatowsky, Y. | Deposit date: | 2020-10-13 | Release date: | 2020-11-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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7M6R
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6ET7
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7M6S
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6I3G
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![BU of 6i3g by Molmil](/molmil-images/mine/6i3g) | Crystal structure of a putative peptide binding protein AppA from Clostridium difficile | Descriptor: | ABC transporter, substrate-binding protein, family 5, ... | Authors: | Hughes, A.M, Wilkinson, A, Dodson, E. | Deposit date: | 2018-11-06 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile. Acta Crystallogr.,Sect.F, 75, 2019
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6VAH
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![BU of 6vah by Molmil](/molmil-images/mine/6vah) | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative | Descriptor: | 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative to be published
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6IAI
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7M6O
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![BU of 7m6o by Molmil](/molmil-images/mine/7m6o) | Full length alpha1 Glycine receptor in presence of 0.1mM Glycine and 32uM Tetrahydrocannabinol | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | Authors: | Kumar, A, Chakrapani, S. | Deposit date: | 2021-03-26 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs. Nat Commun, 13, 2022
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6V54
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![BU of 6v54 by Molmil](/molmil-images/mine/6v54) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-03 | Release date: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
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7M6P
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![BU of 7m6p by Molmil](/molmil-images/mine/7m6p) | Full length alpha1 Glycine receptor in presence of 1mM Glycine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1 | Authors: | Kumar, A, Chakrapani, S. | Deposit date: | 2021-03-26 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs. Nat Commun, 13, 2022
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5GVM
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![BU of 5gvm by Molmil](/molmil-images/mine/5gvm) | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | Descriptor: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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6I3Z
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![BU of 6i3z by Molmil](/molmil-images/mine/6i3z) | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | Descriptor: | Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ... | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-11-08 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin. JCI Insight, 5, 2020
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7MRA
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6I49
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![BU of 6i49 by Molmil](/molmil-images/mine/6i49) | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide | Descriptor: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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4RD0
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![BU of 4rd0 by Molmil](/molmil-images/mine/4rd0) | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDP | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.713 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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6V2E
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6P6Z
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![BU of 6p6z by Molmil](/molmil-images/mine/6p6z) | HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
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6SGX
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![BU of 6sgx by Molmil](/molmil-images/mine/6sgx) | Structure of protomer 1 of the ESX-3 core complex | Descriptor: | ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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4R3I
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![BU of 4r3i by Molmil](/molmil-images/mine/4r3i) | The crystal structure of an RNA complex | Descriptor: | RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing protein 1 | Authors: | Tempel, W, Xu, C, Liu, K, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-08-15 | Release date: | 2014-09-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain. Nat.Chem.Biol., 10, 2014
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8SSJ
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6V80
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8SL7
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![BU of 8sl7 by Molmil](/molmil-images/mine/8sl7) | Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05 | Descriptor: | (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-21 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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