7DAS
 
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
2XL1
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
4U1C
 | |
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
|
|
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
|
|
