7PRR
| Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with acetylcholine | Descriptor: | ACETYLCHOLINE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | Deposit date: | 2021-09-22 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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8C6Q
| Fragment screening hit II bound to endothiapepsin | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C71
| Pyrrolidine fragment 5b bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C72
| Pyrrolidine fragment 10b bound to endothiapepsin | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C70
| Pyrrolidine fragment 1 bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C74
| Pyrrolidine fragment 10d bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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7Z7T
| Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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1YEP
| Structural and biochemical analysis of the link between enzymatic activity and olgomerization in AhpC, a bacterial peroxiredoxin. | Descriptor: | Alkyl hydroperoxide reductase subunit C, SULFATE ION | Authors: | Parsonage, D, Youngblood, D.S, Sarma, G.N, Wood, Z.A, Karplus, P.A, Poole, L.B. | Deposit date: | 2004-12-28 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Analysis of the Link between Enzymatic Activity and Oligomeric State in AhpC, a Bacterial Peroxiredoxin. Biochemistry, 44, 2005
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8C6S
| Fragment screening hit III bound to endothiapepsin | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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1Y2E
| Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 1-(4-amino-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1YFQ
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1TBX
| Crystal structure of SSV1 F-93 | Descriptor: | Hypothetical 11.0 kDa protein | Authors: | Kraft, P, Oeckinghaus, A, Kummel, D, Gauss, G.H, Wiedenheft, B, Young, M, Lawrence, C.M. | Deposit date: | 2004-05-20 | Release date: | 2004-07-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of F-93 from Sulfolobus spindle-shaped virus 1, a winged-helix DNA binding protein. J.Virol., 78, 2004
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8C6T
| Fragment screening hit IV bound to endothiapepsin | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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1YGC
| Short Factor VIIa with a small molecule inhibitor | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | Deposit date: | 2005-01-04 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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8C0Z
| CryoEM structure of a tungsten-containing aldehyde oxidoreductase from Aromatoleum aromaticum | Descriptor: | Aldehyde:ferredoxin oxidoreductase,tungsten-containing, BENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Winiarska, A, Ramirez-Amador, F, Hege, D, Gemmecker, Y, Prinz, S, Hochberg, G, Heider, J, Szaleniec, M, Schuller, J.M. | Deposit date: | 2022-12-19 | Release date: | 2023-05-31 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | A bacterial tungsten-containing aldehyde oxidoreductase forms an enzymatic decorated protein nanowire. Sci Adv, 9, 2023
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7Z83
| Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Open state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7ZC5
| Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Resting state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-25 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7PRQ
| Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline. | Descriptor: | 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ... | Authors: | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | Deposit date: | 2021-09-22 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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1GO5
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1TH4
| crystal structure of NADPH depleted bovine liver catalase complexed with 3-amino-1,2,4-triazole | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-06-01 | Release date: | 2005-07-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | crystal structure of bovine liver catalase TO BE PUBLISHED
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6ZYH
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6ZQU
| Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-10 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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7Z84
| Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Open-ready state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7Z80
| Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Closed state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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1TKJ
| Streptomyces griseus aminopeptidase complexed with D-Methionine | Descriptor: | Aminopeptidase, CALCIUM ION, D-METHIONINE, ... | Authors: | Reiland, V, Gilboa, R, Spungin-Bialik, A, Schomburg, D, Shoham, Y, Blumberg, S, Shoham, G. | Deposit date: | 2004-06-08 | Release date: | 2005-06-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Interactions of D Amino Acids with Streptomyces griseus Aminopeptidase To be Published
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