7TI1
 
 | | Structure of AmpC bound to RPX-7063 at 2.0A | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J. | | Deposit date: | 2022-01-12 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
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7XCZ
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5F7E
 | | Crystal structure of germ-line precursor of 3BNC60 Fab | | Descriptor: | Fab heavy chain, Fab light chain | | Authors: | Sievers, S.A, Scharf, L, Jiang, S, Bjorkman, P.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-04-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
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5IMX
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6GA6
 | | Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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9C36
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5ZAN
 | | Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor | | Descriptor: | 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A | | Authors: | Cheng, B, Lu, G, Zhou, H. | | Deposit date: | 2018-02-07 | | Release date: | 2019-02-13 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Optimization of Novel Quinazolines as Potent Aurora Kinase Inhibitors for Triple-Negative Breast Cancer Treatment.
J.Med.Chem., 68, 2025
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8W89
 | | Cryo-EM structure of the PEA-bound TAAR1-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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6RWQ
 | | Engineered beta-lactoglobulin: variant F105L in complex with myristic acid | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID | | Authors: | Loch, J.I, Gotkowski, M, Lewinski, K. | | Deposit date: | 2019-06-05 | | Release date: | 2019-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
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5IND
 | | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | | Descriptor: | Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | | Authors: | Li, X, Wang, J.-H. | | Deposit date: | 2016-03-07 | | Release date: | 2016-10-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.132 Å) | | Cite: | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
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7A61
 | | Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | | Descriptor: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
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5INQ
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7A63
 | | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | | Descriptor: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-02-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.57000113 Å) | | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
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7XDA
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8QWK
 | | Structure of p53 cancer mutant Y126C | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | | Authors: | Markl, A.M, Balourdas, D.I, Kraemer, A, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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7RBT
 | | cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide | | Descriptor: | 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S. | | Deposit date: | 2021-07-06 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8TP2
 | | H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting 1-1-1F05 | | Descriptor: | 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, Heavy chain of Fab 1-1-1F05, ... | | Authors: | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | | Deposit date: | 2023-08-04 | | Release date: | 2023-10-11 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Cell Rep, 43, 2024
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7R9V
 | | Structure of PIK3CA with covalent inhibitor 19 | | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
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7X4X
 | | BTB domain of KEAP1 in complex with MEF | | Descriptor: | 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1 | | Authors: | Qu, L.Z. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
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4QEL
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant H70A | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | Authors: | Andrews, F.H, Rogers, M.P, Brodkin, H.R, McLeish, M.J. | | Deposit date: | 2014-05-16 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.432 Å) | | Cite: | Structural investigation of benzoylformate decarboxylase active site variants
To be Published
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7R9Y
 | | Structure of PIK3CA with covalent inhibitor 22 | | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
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6XJU
 | | Crystal Structure of KPT-8602 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ) | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M, Chook, Y.M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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4QG8
 | | crystal structure of PKM2-K305Q mutant | | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
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6D6L
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5ITT
 | | Crystal Structure of Human NEIL1 bound to duplex DNA containing THF | | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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