7TSD
 
 | | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
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8ON4
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8CF6
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8OK0
 | | Crystal structure of human NQO1 in complex with the inhibitor PMSF | | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | | Deposit date: | 2023-03-26 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
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5LA5
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7PZ1
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | | Authors: | Scaletti, E.R, Helleday, T, Stenmark, P. | | Deposit date: | 2021-10-11 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
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7TS3
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
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5VJ7
 | | Ferredoxin NADP Oxidoreductase (Xfn) | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP(+) reductase subunit alpha, ... | | Authors: | Zadvornyy, O.A, Nguyen, D.M.N, Schut, G.J, Lipscomb, G.L, Tokmina-Lukaszewska, M, Adams, M.W.W, Peters, J.W. | | Deposit date: | 2017-04-18 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus.
J. Biol. Chem., 292, 2017
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7Q10
 | | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | | Authors: | Pontillo, N, Guskov, A. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
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8OND
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6MBV
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6MFB
 | | Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | | Authors: | Maciel, L.G, Oliveira, A.A, Romao, T.P, Silva Filha, M.H.N.L, dos Anjos, J.V, Soares, T.A, Guido, R.V.C. | | Deposit date: | 2018-09-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
To Be Published
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5VLK
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5LAU
 | | Oceanobacillus iheyensis macrodomain mutant G37V with ADPR | | Descriptor: | GLYCEROL, MacroD-type macrodomain, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-15 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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5EXQ
 | | Human cytochrome c Y48H | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Fellner, M, Jameson, G.N.L, Ledgerwood, E.C, Wilbanks, S.M. | | Deposit date: | 2015-11-24 | | Release date: | 2016-11-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity.
Biochem.J., 2021
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8CF7
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8C3M
 | | Crystal structure of ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) V329H mutant from Bacillus cereus | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | Authors: | Dahlen, S.A.B, Hammerstad, M, Hersleth, H.-P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction.
Antioxidants, 12, 2023
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7PI6
 | | Trypanosoma brucei ISG65 bound to human complement C3d | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ... | | Authors: | Cook, A.D, Higgins, M.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022
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5VLP
 | | PCSK9 complex with LDLR antagonist peptide and Fab7G7 | | Descriptor: | Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5EZA
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5VKY
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6MD6
 | | CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2018-09-04 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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8P32
 | | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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5L40
 | | polyketide ketoreductase SimC7 - apo crystal form 1 | | Descriptor: | polyketide ketoreductase SimC7 | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-24 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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5VM6
 | | The hapten triclocarban bound to the single domain camelid nanobody VHH T10 | | Descriptor: | N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea, SODIUM ION, SULFATE ION, ... | | Authors: | Tabares-da Rosa, S, Gonzalez-Sapienza, G, Wilson, D.K. | | Deposit date: | 2017-04-26 | | Release date: | 2018-05-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and specificity of several triclocarban-binding single domain camelid antibody fragments.
J. Mol. Recognit., 32, 2019
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