5AF1
 
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2VNM
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2008-02-05 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
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5FGK
 | | CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one | | Descriptor: | 1,2-ETHANEDIOL, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... | | Authors: | Musil, D, Blagg, J, Mallinger, A. | | Deposit date: | 2015-12-20 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
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5AGU
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ... | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.173 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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5AD2
 | | Bivalent binding to BET bromodomains | | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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5AK2
 | | Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators. | | Descriptor: | (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR | | Authors: | Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.
J.Med.Chem., 58, 2015
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1U7I
 | | Crystal Structure of Protein of Unknown Function PA1358 from Pseudomonas aeruginosa | | Descriptor: | hypothetical protein | | Authors: | Osipiuk, J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-03 | | Release date: | 2004-08-10 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray crystal structure of hypothetical protein PA1358 from Pseudomonas aeruginosa
To be Published
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1KX8
 | | Antennal Chemosensory Protein A6 from Mamestra brassicae, tetragonal form | | Descriptor: | CHEMOSENSORY PROTEIN A6 | | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Structure and Ligand Binding Study of a Chemosensory Protein
J.Biol.Chem., 277, 2002
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7R60
 | | BTK in complex with 18A | | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7R61
 | | BTK in complex with 25A | | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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2H8F
 | | Crystal structure of deoxy hemoglobin from Trematomus bernacchii at pH 6.2 | | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mazzarella, L, Vergara, A, Vitagliano, L, Merlino, A, Bonomi, G, Scala, S, Verde, C, di Prisco, G. | | Deposit date: | 2006-06-07 | | Release date: | 2006-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect.
Proteins, 65, 2006
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5AH4
 | | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | | Descriptor: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-04 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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2WE4
 | | Carbamate kinase from Enterococcus faecalis bound to a sulfate ion and two water molecules, which mimic the substrate carbamyl phosphate | | Descriptor: | CARBAMATE KINASE 1, SULFATE ION | | Authors: | Ramon-Maiques, S, Marina, A, Gil-Ortiz, F, Rubio, V. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Substrate Binding and Catalysis in Carbamate Kinase Ascertained by Crystallographic and Site-Directed Mutagenesis Studies. Movements and Significance of a Unique Globular Subdomain of This Key Enzyme for Fermentative ATP Production in Bacteria.
J.Mol.Biol., 397, 2010
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7RD1
 | | The Capsid Structure of the ChAdOx1 viral vector/chimpanzee adenovirus Y25 | | Descriptor: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | Authors: | Baker, A.T, Boyd, R.J, Sarkar, D, Vermaas, J.V, Williams, D, Singharoy, A. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome.
Sci Adv, 7, 2021
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1GH1
 | | NMR STRUCTURES OF WHEAT NONSPECIFIC LIPID TRANSFER PROTEIN | | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN | | Authors: | Gincel, E, Simorre, J.P, Caille, A, Marion, D, Ptak, M, Vovelle, F. | | Deposit date: | 2000-10-29 | | Release date: | 2000-11-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure in solution of a wheat lipid-transfer protein from multidimensional 1H-NMR data. A new folding for lipid carriers.
Eur.J.Biochem., 226, 1994
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2XJH
 | | Structure and Copper-binding Properties of Methanobactins from Methylosinus trichosporium OB3b | | Descriptor: | COPPER (II) ION, METHANOBACTIN MB-OB3B, SODIUM ION | | Authors: | El-Ghazouani, A, Basle, A, Firbank, S.J, Knapp, C.W, Gray, J, Graham, D.W, Dennison, C. | | Deposit date: | 2010-07-06 | | Release date: | 2011-02-02 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Copper-Binding Properties and Structures of Methanobactins from Methylosinus Trichosporium Ob3B.
Inorg.Chem., 50, 2011
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5GUE
 | | Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens | | Descriptor: | Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | | Authors: | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2016-08-28 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol
ACS Chem. Biol., 12, 2017
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5LXC
 | | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-20 | | Release date: | 2016-10-26 | | Last modified: | 2017-01-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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5H2J
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 290 ns after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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7PO4
 | | Assembly intermediate of human mitochondrial ribosome large subunit (largely unfolded rRNA with MALSU1, L0R8F8 and ACP) | | Descriptor: | 16SrRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNY
 | | Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and METTL15 conformation b | | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PO3
 | | Human mitochondrial ribosome small subunit | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNZ
 | | Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and METTL15 conformation c | | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PO0
 | | Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and IF3 | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNT
 | | Assembly intermediate of mouse mitochondrial ribosome small subunit without mS37 in complex with RbfA and Tfb1m | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Laptev, I, Sergiev, P, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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