8JL1
| membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Yu, J, Ge, J.P, Xu, R.S. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | membrane proteins To Be Published
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5JRQ
| BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ... | Authors: | Grasso, M.J, Marmorstein, R. | Deposit date: | 2016-05-06 | Release date: | 2016-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation. Acs Chem.Biol., 11, 2016
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8Q9V
| S-methylthiourocanate hydratase from Variovorax sp. RA8 in complex with NAD+ and imidazolone propionate | Descriptor: | 1,2-ETHANEDIOL, 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid, ACETIC ACID, ... | Authors: | Vasseur, C.M, Seebeck, F.P. | Deposit date: | 2023-08-21 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Substrate Specificity of S -Methyl Thiourocanate Hydratase. Acs Chem.Biol., 19, 2024
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8AK9
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8JKV
| membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yu, J, Ge, J.P, Ruisheng, X. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | membrane proteins To Be Published
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8AKG
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6RLM
| Crystal structure of AT1412dm Fab fragment | Descriptor: | AT1412dm Fab (Heavy Chain), AT1412dm Fab (Light Chain), CHLORIDE ION | Authors: | Neviani, V, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | Deposit date: | 2019-05-02 | Release date: | 2021-05-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of a homo-dimerization site in tetraspanin CD9 targeted by a melanoma patient-derived antibody To Be Published
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6ICM
| Pseudomonas putida CBB5 NdmA with ferredoxin domain of NdmD | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Methylxanthine N1-demethylase NdmA, ... | Authors: | Kim, J.H, Kim, B.H, Kang, S.Y, Song, H.K. | Deposit date: | 2018-09-06 | Release date: | 2019-09-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.961 Å) | Cite: | Structural and Mechanistic Insights into Caffeine Degradation by the Bacterial N-Demethylase Complex. J.Mol.Biol., 431, 2019
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5MJ3
| INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1 | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N. | Deposit date: | 2016-11-29 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold. Nat Commun, 5, 2014
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8AK7
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6ZFU
| Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor RKA066 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials To Be Published
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5K0I
| mpges1 bound to an inhibitor | Descriptor: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Kuklish, S.L. | Deposit date: | 2016-05-17 | Release date: | 2016-09-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6ZFT
| Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials To Be Published
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6IM0
| Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | Descriptor: | BICARBONATE ION, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... | Authors: | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | Deposit date: | 2018-10-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6ZFS
| Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials To Be Published
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8QD6
| AntI Ser245DHA (PMSF) | Descriptor: | ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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6IVO
| Crystal structure of a membrane protein P208A | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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6C1W
| A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2018-01-05 | Release date: | 2018-03-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism. Biochemistry, 57, 2018
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8QBI
| AntI in closed state | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-24 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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5K0P
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8QD5
| AntI Ser245DHA (PSF) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8AXG
| Crystal structure of Fusobacterium nucleatum fusolisin protease | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ... | Authors: | Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J. | Deposit date: | 2022-08-31 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of Fusobacterium nucleatum fusolisin protease To Be Published
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7U6H
| HalD with ornithine and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Swenson, C.V, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | Deposit date: | 2022-03-04 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases. Proc.Natl.Acad.Sci.USA, 120, 2023
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6S9M
| Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ... | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | Deposit date: | 2019-07-15 | Release date: | 2020-02-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders. Acs Chem.Biol., 15, 2020
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6ZT8
| X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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