7MI0
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4HPO
| Crystal structure of RV144-elicited antibody CH58 in complex with V2 peptide | Descriptor: | CH58 Fab heavy chain, CH58 Fab light chain, Envelope glycoprotein gp160, ... | Authors: | McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D. | Deposit date: | 2012-10-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2. Immunity, 38, 2013
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7YHK
| Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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5C8E
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6K9M
| Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors. Eur.J.Med.Chem., 206, 2020
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3L4V
| Crystal complex of N-terminal Human Maltase-Glucoamylase with kotalanol | Descriptor: | (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sim, L, Rose, D.R. | Deposit date: | 2009-12-21 | Release date: | 2010-02-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata. Biochemistry, 49, 2010
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3L4W
| Crystal complex of N-terminal Human Maltase-Glucoamylase with miglitol | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sim, L, Rose, D.R. | Deposit date: | 2009-12-21 | Release date: | 2010-02-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata. Biochemistry, 49, 2010
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3A5U
| Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex | Descriptor: | DNA (31-MER), Single-stranded DNA-binding protein | Authors: | Kaushal, P.S, Manjunath, G.P, Sekar, K, Muniyappa, K, Vijayan, M. | Deposit date: | 2009-08-12 | Release date: | 2010-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex. To be Published, 2009
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3CLB
| Structure of bifunctional TcDHFR-TS in complex with TMQ | Descriptor: | 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | Deposit date: | 2008-03-18 | Release date: | 2009-01-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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1OFX
| CRYSTAL STRUCTURE OF AN OKAZAKI FRAGMENT AT 2 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*GP*GP*GP*TP*AP*TP*AP*CP*GP*C)-3'), DNA/RNA (5'-R(*GP*CP*GP*)-D(*TP*AP*TP*AP*CP*CP*C)-3'), SPERMINE | Authors: | Egli, M, Usman, N, Zhang, S, Rich, A. | Deposit date: | 1991-10-17 | Release date: | 1993-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an Okazaki fragment at 2-A resolution. Proc.Natl.Acad.Sci.USA, 89, 1992
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1ESF
| STAPHYLOCOCCAL ENTEROTOXIN A | Descriptor: | CADMIUM ION, STAPHYLOCOCCAL ENTEROTOXIN A | Authors: | Schad, E.M, Svensson, L.A. | Deposit date: | 1995-05-25 | Release date: | 1996-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the superantigen staphylococcal enterotoxin type A. EMBO J., 14, 1995
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2LLE
| Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds | Descriptor: | Chemotaxis protein CheY, Imidazole glycerol phosphate synthase subunit HisF chimera | Authors: | Coles, M, Truffault, V, Eisenbeis, S, Proffitt, W, Meiler, J, Hocker, B. | Deposit date: | 2011-11-07 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Potential of fragment recombination for rational design of proteins. J.Am.Chem.Soc., 134, 2012
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4C0C
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2013-08-01 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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7D5C
| IleRS in complex with a tRNA site inhibitor | Descriptor: | (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ... | Authors: | Chen, B, Luo, S, Zhou, H. | Deposit date: | 2020-09-25 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase. Nat Commun, 12, 2021
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6IHG
| N terminal domain of Mycobacterium avium complex Lon protease | Descriptor: | Lon protease | Authors: | Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H. | Deposit date: | 2018-09-29 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex. Protein Sci., 28, 2019
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4L72
| Crystal structure of MERS-CoV complexed with human DPP4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Wang, X.Q, Wang, N.S. | Deposit date: | 2013-06-13 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4 Cell Res., 23, 2013
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5EVO
| Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site | Descriptor: | ACETATE ION, Dehydroascorbate reductase, GLYCEROL | Authors: | Kumar, A.O, Das, B.K, Arockiasamy, A. | Deposit date: | 2015-11-20 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase. Biochem.Biophys.Res.Commun., 473, 2016
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4BMM
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | Deposit date: | 2013-05-09 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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4HR9
| Human interleukin 17A | Descriptor: | Interleukin-17A | Authors: | Liu, S. | Deposit date: | 2012-10-26 | Release date: | 2013-05-22 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A. Nat Commun, 4, 2013
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4LR6
| Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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7K4M
| Crystal structure of MetAP2 Modified Hemoglobin S | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, M.K, Light, D.R. | Deposit date: | 2020-09-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease. Blood Adv, 5, 2021
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2IVV
| Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1 | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | Deposit date: | 2006-06-16 | Release date: | 2006-08-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and chemical inhibition of the RET tyrosine kinase domain. J. Biol. Chem., 281, 2006
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7KFV
| Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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2IVU
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7KFY
| Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-F10 Fab, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
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