4BVC
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![BU of 4bvc by Molmil](/molmil-images/mine/4bvc) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, APOLIPOPROTEIN(A), CHLORIDE ION, ... | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-25 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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4BVW
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![BU of 4bvw by Molmil](/molmil-images/mine/4bvw) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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4BVV
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![BU of 4bvv by Molmil](/molmil-images/mine/4bvv) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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6YWY
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![BU of 6ywy by Molmil](/molmil-images/mine/6ywy) | The structure of the mitoribosome from Neurospora crassa with bound tRNA at the P-site | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-30 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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6YWX
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![BU of 6ywx by Molmil](/molmil-images/mine/6ywx) | The structure of the mitoribosome from Neurospora crassa with tRNA bound to the E-site | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-30 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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6YWE
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![BU of 6ywe by Molmil](/molmil-images/mine/6ywe) | The structure of the mitoribosome from Neurospora crassa in the P/E tRNA bound state | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-29 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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6YWV
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![BU of 6ywv by Molmil](/molmil-images/mine/6ywv) | The structure of the Atp25 bound assembly intermediate of the mitoribosome from Neurospora crassa | Descriptor: | 23 S rRNA, 50S ribosomal protein L14, 50S ribosomal protein L17, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-30 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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6YWS
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![BU of 6yws by Molmil](/molmil-images/mine/6yws) | The structure of the large subunit of the mitoribosome from Neurospora crassa | Descriptor: | 50S ribosomal protein L14, 50S ribosomal protein L17, 50S ribosomal protein L24, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-30 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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4BV5
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![BU of 4bv5 by Molmil](/molmil-images/mine/4bv5) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-25 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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7NXJ
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![BU of 7nxj by Molmil](/molmil-images/mine/7nxj) | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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8V6M
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![BU of 8v6m by Molmil](/molmil-images/mine/8v6m) | Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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8V6L
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![BU of 8v6l by Molmil](/molmil-images/mine/8v6l) | Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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8V6K
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![BU of 8v6k by Molmil](/molmil-images/mine/8v6k) | Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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8V6O
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![BU of 8v6o by Molmil](/molmil-images/mine/8v6o) | Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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8V6N
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![BU of 8v6n by Molmil](/molmil-images/mine/8v6n) | Open-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, ARACHIDONIC ACID, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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6WU8
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![BU of 6wu8 by Molmil](/molmil-images/mine/6wu8) | Structure of human SHP2 in complex with inhibitor IACS-13909 | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | Deposit date: | 2020-05-04 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib. Cancer Res., 80, 2020
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1W5V
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![BU of 1w5v by Molmil](/molmil-images/mine/1w5v) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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6VOU
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![BU of 6vou by Molmil](/molmil-images/mine/6vou) | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ... | Authors: | Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2020-01-31 | Release date: | 2021-06-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for plazomicin antibiotic action and resistance. Commun Biol, 4, 2021
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6VR2
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![BU of 6vr2 by Molmil](/molmil-images/mine/6vr2) | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-tobramycin and CoA | Descriptor: | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside, ACETATE ION, Aminoglycoside 2'-N-acetyltransferase, ... | Authors: | Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2020-02-06 | Release date: | 2021-06-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes. Sci Rep, 11, 2021
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6YW5
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![BU of 6yw5 by Molmil](/molmil-images/mine/6yw5) | The structure of the small subunit of the mitoribosome from Neurospora crassa | Descriptor: | 16S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | Deposit date: | 2020-04-29 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
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1W5Y
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![BU of 1w5y by Molmil](/molmil-images/mine/1w5y) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1W5X
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![BU of 1w5x by Molmil](/molmil-images/mine/1w5x) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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7UPY
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![BU of 7upy by Molmil](/molmil-images/mine/7upy) | An antibody from single human VH-rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F. | Deposit date: | 2022-04-18 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion. Sci Immunol, 7, 2022
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7UPW
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![BU of 7upw by Molmil](/molmil-images/mine/7upw) | Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F. | Deposit date: | 2022-04-18 | Release date: | 2022-08-10 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion. Sci Immunol, 7, 2022
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1W5W
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![BU of 1w5w by Molmil](/molmil-images/mine/1w5w) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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