6OOA
 
 | | Human CYP3A4 bound to a drug substrate | | Descriptor: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019
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7ABI
 | | Human pre-Bact-2 spliceosome | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Beta-catenin-like protein 1, ... | | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | | Deposit date: | 2020-09-07 | | Release date: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
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8FOW
 | | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-03 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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4Q9J
 | | P-glycoprotein cocrystallised with QZ-Val | | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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4Q9H
 | | P-glycoprotein at 3.4 A resolution | | Descriptor: | Multidrug resistance protein 1A | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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5A9H
 | | Crystal structure of the extracellular domain of PepT2 | | Descriptor: | ACETATE ION, CESIUM ION, GLYCEROL, ... | | Authors: | Beale, J.H, Newstead, S. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structures of the Extracellular Domain from Pept1 and Pept2 Provide Novel Insights Into Mammalian Peptide Transport
Structure, 23, 2015
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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6ZTK
 | | Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus | | Descriptor: | FRAGMENT OF TRITON X-100, Mialostatin, SULFATE ION | | Authors: | Busa, M, Rezacova, P, Mares, M. | | Deposit date: | 2020-07-20 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion.
Int J Mol Sci, 22, 2021
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7PP6
 | | MUC2 Tubules of D1D2D3 domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2021-09-13 | | Release date: | 2022-02-16 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7POV
 | | MUC2 Tubules of D1D2D3 domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2021-09-10 | | Release date: | 2022-02-16 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PMV
 | | VWF Tubules of D1D2D'D3 domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2021-09-02 | | Release date: | 2022-02-23 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PNF
 | | VWF Tubules of D1D2D'D3 domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2021-09-06 | | Release date: | 2022-02-23 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (4.35 Å) | | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SFY
 | | Crystal structure of human Mis18ab_cc | | Descriptor: | Protein Mis18-alpha, Protein Mis18-beta | | Authors: | Park, S.H, Cho, U. | | Deposit date: | 2021-10-04 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Mis18 Complex Assembly: Implications for Centromere Maintenance
To Be Published
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7PFP
 | | Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | | Deposit date: | 2021-08-11 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7Q3N
 | | Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ... | | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | | Deposit date: | 2021-10-28 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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3VOR
 | | Crystal Structure Analysis of the CofA | | Descriptor: | CFA/III pilin | | Authors: | Fukakusa, S, Kawahara, K, Nakamura, S, Iwasita, T, Baba, S, Nishimura, M, Kobayashi, Y, Honda, T, Iida, T, Taniguchi, T, Ohkubo, T. | | Deposit date: | 2012-02-06 | | Release date: | 2012-09-26 | | Last modified: | 2013-07-31 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Structure of the CFA/III major pilin subunit CofA from human enterotoxigenic Escherichia coli determined at 0.90 A resolution by sulfur-SAD phasing
Acta Crystallogr.,Sect.D, 68, 2012
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6ZR6
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6ZRA
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6ZT2
 | | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 3-chloranyl-2,6-bis(fluoranyl)phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Badran, M.J, Heine, A, Klebe, G. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol
To Be Published
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2YFO
 | | GALACTOSIDASE DOMAIN OF ALPHA-GALACTOSIDASE-SUCROSE KINASE, AGASK, in complex with galactose | | Descriptor: | ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | | Deposit date: | 2011-04-07 | | Release date: | 2011-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
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6ZVY
 | | X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174R LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE | | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
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6OOG
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4Q9K
 | | P-glycoprotein cocrystallised with QZ-Leu | | Descriptor: | (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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5LJJ
 | | Crystal structure of human Mps1 (TTK) in complex with Reversine | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-07-18 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of reversine selectivity in inhibiting Mps1 more potently than aurora B kinase.
Proteins, 84, 2016
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6XCO
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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