2WW9
| Cryo-EM structure of the active yeast Ssh1 complex bound to the yeast 80S ribosome | Descriptor: | 25S RRNA, 60S RIBOSOMAL PROTEIN L17-A, 60S RIBOSOMAL PROTEIN L19, ... | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | Deposit date: | 2009-10-22 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome. Science, 326, 2009
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2WIN
| C3 convertase (C3bBb) stabilized by SCIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Wu, J, Janssen, B.J, Gros, P. | Deposit date: | 2009-05-13 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural and functional implications of the alternative complement pathway C3 convertase stabilized by a staphylococcal inhibitor. Nat. Immunol., 10, 2009
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1D6R
| CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY | Descriptor: | BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN | Authors: | Koepke, J, Ermler, U, Wenzl, G, Flecker, P. | Deposit date: | 1999-10-15 | Release date: | 2000-05-05 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity. J.Mol.Biol., 298, 2000
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5LF0
| Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom | Descriptor: | CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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2V8B
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5LGP
| Crystal structure of mouse CARM1 in complex with ligand P1C3s | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ... | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2OO8
| Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors | Descriptor: | Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | Authors: | Bellon, S.F, Kim, J. | Deposit date: | 2007-01-25 | Release date: | 2007-03-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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6HRO
| Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a | Descriptor: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | Deposit date: | 2018-09-27 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62, 2019
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2V3I
| Hypocrea jecorina Cel7A in complex with (R)-dihydroxy-phenanthrenolol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL, COBALT (II) ION, ... | Authors: | Fagerstrom, A, Sandgren, M, Berg, U, Stahlberg, J. | Deposit date: | 2007-06-18 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes. To be Published
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5LDS
| Structure of the porcine aminopeptidase N ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Santiago, C, Reguera, J, Mudgal, G, Casasnovas, J.M. | Deposit date: | 2016-06-27 | Release date: | 2017-04-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection. Sci Rep, 7, 2017
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2V5G
| Crystal structure of the mutated N263A YscU C-terminal domain | Descriptor: | CHLORIDE ION, YSCU | Authors: | Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W. | Deposit date: | 2008-10-06 | Release date: | 2008-11-04 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica J.Mol.Biol., 385, 2009
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2VL4
| Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2008-01-08 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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1G7M
| CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92V) | Descriptor: | ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C | Authors: | Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A. | Deposit date: | 2000-11-10 | Release date: | 2000-11-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. Biochemistry, 39, 2000
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6HT5
| Oct4/Sox2:UTF1 structure | Descriptor: | DNA (5'-D(*TP*TP*CP*AP*CP*TP*AP*GP*CP*AP*TP*AP*AP*CP*AP*AP*TP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*CP*AP*TP*TP*GP*TP*TP*AP*TP*GP*CP*TP*AP*GP*TP*GP*AP*AP*G)-3'), POU domain, ... | Authors: | Vahokoski, J, Meusch, D, Groves, M, Pogenberg, V, Wilmanns, M. | Deposit date: | 2018-10-03 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.451 Å) | Cite: | Oct4/Sox2:UTF1 structure To Be Published
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2V0G
| LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site. | Descriptor: | AMINOACYL-TRNA SYNTHETASE, LEUCINE, MERCURY (II) ION, ... | Authors: | Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K. | Deposit date: | 2007-05-14 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site. Science, 316, 2007
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2VF8
| Crystal structure of UvrA2 from Deinococcus radiodurans | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC SUBUNIT A, PHOSPHATE ION, ... | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | Deposit date: | 2007-10-31 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analyses of Deinococcus Radiodurans Uvra2 Provide Insight Into DNA Binding and Damage Recognition by Uvras. Structure, 17, 2009
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1G7L
| CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92S) | Descriptor: | ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C | Authors: | Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A. | Deposit date: | 2000-11-10 | Release date: | 2000-11-22 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. Biochemistry, 39, 2000
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2V9Y
| Human aminoimidazole ribonucleotide synthetase | Descriptor: | PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE, SULFATE ION | Authors: | Welin, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-28 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Studies of Tri-Functional Human Gart. Nucleic Acids Res., 38, 2010
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2OLM
| ArfGap domain of HIV-1 Rev binding protein | Descriptor: | GLYCEROL, Nucleoporin-like protein RIP, SULFATE ION, ... | Authors: | Tong, Y, Tempel, W, Shen, L, Dimov, S, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-19 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | ArfGap domain of HIV-1 Rev binding protein To be Published
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5LNE
| E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen | Descriptor: | NICKEL (II) ION, Putative Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | Deposit date: | 2016-08-04 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection. Cell Host Microbe, 20, 2016
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4DPI
| BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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2VKM
| Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Hong, L, Tang, J, Ghosh, A.K. | Deposit date: | 2007-12-04 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation. Bioorg.Med.Chem.Lett., 18, 2008
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2VEU
| Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | Descriptor: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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2VNA
| Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2 | Authors: | Shafqat, N, Kavanagh, K, Pike, A.C.W, Muniz, J.R.C, Pilka, E, Roos, A.K, Picaud, S, Johansson, C, Smee, C, Fedorov, O, Kochan, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, von Delft, F, Opperman, U. | Deposit date: | 2008-02-01 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1) To be Published
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6HYI
| Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | Descriptor: | INOSINE, Protein kinase A regulatory subunit | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-10-22 | Release date: | 2019-11-13 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.39944851 Å) | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens. Elife, 12, 2024
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