8GY3
 
 | | Cryo-EM Structure of Membrane-Bound Aldehyde Dehydrogenase from Gluconobacter oxydans | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), Cytochrome c subunit of aldehyde dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Adachi, T, Miyata, T, Makino, F, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Experimental and Theoretical Insights into Bienzymatic Cascade for Mediatorless Bioelectrochemical Ethanol Oxidation with Alcohol and Aldehyde Dehydrogenases
Acs Catalysis, 13, 2023
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8B54
 | | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768 | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | | Deposit date: | 2022-09-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
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8GXV
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8EKO
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8B53
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8B4V
 | | X-ray structure of furin (PCSK3) in complex with benzamidine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Dahms, S.O, Brandstetter, H. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
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8B4W
 | | X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine | | Descriptor: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dahms, S.O, Brandstetter, H. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
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8B4X
 | | X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Dahms, S.O, Brandstetter, H. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
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8EKA
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8B49
 | | STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT (m-toluoylcarbonyl group) OF A 5-AZAINDOLE INHIBITOR | | Descriptor: | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | | Authors: | Ferraroni, M, Giovannoni, P, Gerace, A. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
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8EK1
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8GXB
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8GXC
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8EJO
 | | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Yin, L.L, Shi, K, Aihara, H. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
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8EJP
 | | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Yin, L.L, Shi, K, Aihara, H. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
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8EJK
 | | Structure of FFAR1-Gq complex bound to TAK-875 in a lipid nanodisc | | Descriptor: | A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M. | | Deposit date: | 2022-09-17 | | Release date: | 2023-05-24 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EJN
 | | Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol | | Descriptor: | 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | Aktar, M.S, de Serrano, V.S, Franzen, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
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8GWW
 | | Small-molecule Allosteric Regulation Mechanism of SHP2 | | Descriptor: | 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, Y, Zhu, J, Yu, K, Liu, B. | | Deposit date: | 2022-09-17 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
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8EJC
 | | Structure of FFAR1-Gq complex bound to TAK-875 | | Descriptor: | A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M. | | Deposit date: | 2022-09-16 | | Release date: | 2023-05-24 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B3T
 | | Hen Egg White Lysozyme 4s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8B3U
 | | Hen Egg White Lysozyme 6s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8B3V
 | | Hen Egg White Lysozyme 8s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8B3L
 | | Hen Egg White Lysozyme 2s in situ crystallization | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules.
Iucrj, 10, 2023
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8GVW
 | | Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class2 | | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | | Authors: | Won, J, Jeong, H, Lee, H.H. | | Deposit date: | 2022-09-16 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
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8GVX
 | | Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class2 | | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Won, J, Jeong, H, Lee, H.H. | | Deposit date: | 2022-09-16 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
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