7DAS
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7DPI
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![BU of 7dpi by Molmil](/molmil-images/mine/7dpi) | Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | Descriptor: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | Authors: | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2020-12-19 | Release date: | 2022-03-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.597 Å) | Cite: | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development. Structure, 30, 2022
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2HVJ
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![BU of 2hvj by Molmil](/molmil-images/mine/2hvj) | Crystal structure of KcsA-Fab-TBA complex in low K+ | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ... | Authors: | Zhou, Y. | Deposit date: | 2006-07-28 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel. J.Mol.Biol., 366, 2007
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2HVK
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![BU of 2hvk by Molmil](/molmil-images/mine/2hvk) | crystal structure of the KcsA-Fab-TBA complex in high K+ | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, Antibody Fab heavy chain, Antibody Fab light chain, ... | Authors: | Zhou, Y. | Deposit date: | 2006-07-28 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel. J.Mol.Biol., 366, 2007
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7X28
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![BU of 7x28 by Molmil](/molmil-images/mine/7x28) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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2BDY
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![BU of 2bdy by Molmil](/molmil-images/mine/2bdy) | thrombin in complex with inhibitor | Descriptor: | Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2005-10-21 | Release date: | 2006-10-24 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
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7X26
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![BU of 7x26 by Molmil](/molmil-images/mine/7x26) | S41 neutralizing antibody Fab(MERS-CoV) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2022-11-09 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.685 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7X2A
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![BU of 7x2a by Molmil](/molmil-images/mine/7x2a) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab) | Descriptor: | MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2022-11-09 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7X29
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![BU of 7x29 by Molmil](/molmil-images/mine/7x29) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | Deposit date: | 2022-02-25 | Release date: | 2022-11-09 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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2F3F
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![BU of 2f3f by Molmil](/molmil-images/mine/2f3f) | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2005-11-21 | Release date: | 2006-09-05 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49, 2006
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2F3E
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![BU of 2f3e by Molmil](/molmil-images/mine/2f3e) | Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | Descriptor: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Rondeau, J.-M. | Deposit date: | 2005-11-21 | Release date: | 2006-09-05 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49, 2006
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2GDE
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![BU of 2gde by Molmil](/molmil-images/mine/2gde) | Thrombin in complex with inhibitor | Descriptor: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2006-03-16 | Release date: | 2007-03-20 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Total synthesis and structural confirmation of chlorodysinosin A. J.Am.Chem.Soc., 128, 2006
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2JRK
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![BU of 2jrk by Molmil](/molmil-images/mine/2jrk) | NMR Structure and Epitope Mapping of Blo t 5 | Descriptor: | Mite allergen Blo t 5 | Authors: | Chan, S, Mok, Y. | Deposit date: | 2007-06-27 | Release date: | 2008-07-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure and IgE epitopes of Blo t 5, a major dust mite allergen J.Immunol., 181, 2008
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4MJV
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![BU of 4mjv by Molmil](/molmil-images/mine/4mjv) | Influenza Neuraminidase in complex with a novel antiviral compound | Descriptor: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S. | Deposit date: | 2013-09-04 | Release date: | 2014-01-15 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MJU
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![BU of 4mju by Molmil](/molmil-images/mine/4mju) | Influenza Neuraminidase in complex with a novel antiviral compound | Descriptor: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S. | Deposit date: | 2013-09-04 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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2XL1
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8XOL
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![BU of 8xol by Molmil](/molmil-images/mine/8xol) | Cryo-EM structure of human ABCC4 with ANP bound in NBD1 | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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8XOK
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![BU of 8xok by Molmil](/molmil-images/mine/8xok) | Cryo-EM structure of human ABCC4 | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, PALMITIC ACID | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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8XOM
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![BU of 8xom by Molmil](/molmil-images/mine/8xom) | Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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7MBO
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![BU of 7mbo by Molmil](/molmil-images/mine/7mbo) | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.924 Å) | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
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6WKN
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![BU of 6wkn by Molmil](/molmil-images/mine/6wkn) | PL-bound rat TRPV2 in nanodiscs | Descriptor: | Transient receptor potential cation channel subfamily V member 2, piperlongumine | Authors: | Pumroy, R.P, Moiseenkova-Bell, V.Y. | Deposit date: | 2020-04-16 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression. Acs Cent.Sci., 7, 2021
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5WBS
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![BU of 5wbs by Molmil](/molmil-images/mine/5wbs) | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | Deposit date: | 2017-06-29 | Release date: | 2018-04-18 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells. Nat. Chem. Biol., 14, 2018
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4U1C
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![BU of 4u1c by Molmil](/molmil-images/mine/4u1c) | |
2MCR
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![BU of 2mcr by Molmil](/molmil-images/mine/2mcr) | Solution structure of ShK-like immunomodulatory peptide from Brugia malayi (filarial worm) | Descriptor: | Probable zinc metalloproteinase, putative | Authors: | Chhabra, S, Swarbrick, J.D, Pennington, M.W, Chang, S.C, Norton, R.S. | Deposit date: | 2013-08-22 | Release date: | 2014-07-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases. Faseb J., 28, 2014
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5WKH
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![BU of 5wkh by Molmil](/molmil-images/mine/5wkh) | D30 TCR in complex with HLA-A*11:01-GTS3 | Descriptor: | Beta-2-microglobulin, D30 TCR beta chain, GTS3 peptide, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-09-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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