7FAV
 
 | | Crystal Structure of Rubella Protease | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Quek, J.P. | | Deposit date: | 2021-07-07 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of the Rubella virus protease reveals a unique papain-like protease fold.
J.Biol.Chem., 298, 2022
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7SQM
 | | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | | Descriptor: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | | Authors: | Shu, W, Yokokawa, F. | | Deposit date: | 2021-11-05 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
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8PPW
 | | Structure of human PARK7 in complex with GK16S | | Descriptor: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Grethe, C, Gersch, M. | | Deposit date: | 2023-07-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8EXB
 | | Crystal structure of CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
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6DOW
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8PQ0
 | | Structure of human PARK7 in complex with GK16R | | Descriptor: | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7 | | Authors: | Grethe, C, Gersch, M. | | Deposit date: | 2023-07-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
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6DOM
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6DP9
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6DPM
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9HBO
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6DP2
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6IBX
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6DPO
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8EWM
 | | Crystal structure of CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-10-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
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4NKI
 | | Crystal structure of a Fab | | Descriptor: | 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain | | Authors: | Jiang, X. | | Deposit date: | 2013-11-12 | | Release date: | 2014-11-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Epitope characterization of an anti-PD-L1 antibody using orthogonal approaches.
J.Mol.Recognit., 28, 2015
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8EWL
 | | Crystal structure of CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+) | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-10-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.
Inorg.Chem., 62, 2023
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5H8K
 | | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | | Deposit date: | 2015-12-23 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
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6RRH
 | | GOLGI ALPHA-MANNOSIDASE II | | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2019-05-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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5UY1
 | | X-ray crystal structure of apo Halotag | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Dunham, N.P, Boal, A.K. | | Deposit date: | 2017-02-23 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
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8PVS
 | | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,3-galactosidase B, CALCIUM ION, ... | | Authors: | Jensen, M, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2023-07-18 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
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7BOB
 | | Exo-beta-1,4-mannosidase Op5Man5 from Opitutaceae bacterium strain TAV5 | | Descriptor: | Endo-beta-mannanase | | Authors: | Kalyani, D.C, Reichenbach, T, Keskitalo, M.M, Conrad, J, Aspeborg, H, Divne, C. | | Deposit date: | 2021-01-24 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a homotrimeric verrucomicrobial exo - beta -1,4-mannosidase active in the hindgut of the wood-feeding termite Reticulitermes flavipes .
J Struct Biol X, 5, 2021
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9EWT
 | | Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations | | Descriptor: | 1-[2-[3-[(E)-2-(5-cyclopropyl-1,3-oxazol-2-yl)ethenyl]phenyl]-3-pyridin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor | | Authors: | Hargreaves, D. | | Deposit date: | 2024-04-04 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.019 Å) | | Cite: | Optimization of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
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8J5L
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5FUB
 | | Crystal Structure of zebrafish Protein Arginine Methyltransferase 2 catalytic domain with SAH | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-01-22 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
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6V8B
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