6MPF
 
 | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a 2-thiocytidine (s2C32) and inosine (I34) modified anticodon stem loop (ASL) of Escherichia coli transfer RNA Arginine 1 (TRNAARG1) bound to an mRNA with an CGC-codon in the A-site and paromomycin | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Cantara, W.A, DeMirci, H, Agris, P.F. | Deposit date: | 2018-10-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | A Structural Basis for Restricted Codon Recognition Mediated by 2-thiocytidine in tRNA Containing a Wobble Position Inosine. J.Mol.Biol., 432, 2020
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3Q9U
 
 | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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3PM4
 
 | Endothiapepsin in complex with a fragment | Descriptor: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, Endothiapepsin, GLYCEROL | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-16 | Release date: | 2011-11-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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3Q9N
 
 | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-09 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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6DTI
 
 | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with an unmodifed anticodon stem loop (ASL) of Escherichia coli transfer RNA Arginine 2 (TRNAARG2) bound to an mRNA with an CGU-codon in the A-site and paromomycin | Descriptor: | 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Cantara, W.A, DeMirci, H, Agris, P.F. | Deposit date: | 2018-06-16 | Release date: | 2019-04-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | A Structural Basis for Restricted Codon Recognition Mediated by 2-thiocytidine in tRNA Containing a Wobble Position Inosine. J.Mol.Biol., 432, 2020
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5K03
 
 | Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | Descriptor: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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8RU8
 
 | A crystal form of a human CDK2-CDK7 chimera | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2024-01-30 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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1U8C
 
 | A novel adaptation of the integrin PSI domain revealed from its crystal structure | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.P, Stehle, T, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2004-08-05 | Release date: | 2004-12-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A novel adaptation of the integrin PSI domain revealed from its crystal structure. J.Biol.Chem., 279, 2004
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4WAF
 
 | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-08-29 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
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8R9S
 
 | A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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8R9A
 
 | A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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9DOJ
 
 | Influenza A virus polymerase PA subunit endonuclease domain bound to inhibitor Compound 19a | Descriptor: | (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione, MALONATE ION, MANGANESE (II) ION, ... | Authors: | Hollenstein, K, Price, I.R, Eddins, M.J, Su, H.P. | Deposit date: | 2024-09-19 | Release date: | 2025-01-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Highly Diastereoselective Access to Densely Functionalized Piperidine Cores of Influenza Endonuclease Inhibitors via a Metal-Free S N 1 Approach. J.Org.Chem., 90, 2025
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7ALL
 
 | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4) | Descriptor: | Arylsulfatase, CALCIUM ION, IODIDE ION, ... | Authors: | Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A. | Deposit date: | 2020-10-06 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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5FRD
 
 | Structure of a thermophilic esterase | Descriptor: | CARBOXYLESTERASE (EST-2), CHLORIDE ION, CITRATE ANION, ... | Authors: | Sayer, C, Finnigan, W, Isupov, M.N, Levisson, M, Kengen, S.W.M, van der Oost, J, Harmer, N, Littlechild, J.A. | Deposit date: | 2015-12-17 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Biochemical Characterisation of Archaeoglobus Fulgidus Esterase Reveals a Bound Coa Molecule in the Vicinity of the Active Site. Sci.Rep., 6, 2016
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6BKP
 
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6BKT
 
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3ERA
 
 | RECOMBINANT ERABUTOXIN A (S8T MUTANT) | Descriptor: | ERABUTOXIN A, THIOCYANATE ION | Authors: | Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-31 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High resolution x-ray analysis of two mutants of a curaremimetic snake toxin Eur.J.Biochem., 267, 2000
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6CF7
 
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6LU1
 
 | Cyanobacterial PSI Monomer from T. elongatus by Single Particle CRYO-EM at 3.2 A Resolution | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kurisu, G, Coruh, O, Tanaka, H, Gerle, C, Kawamoto, A, Kato, T, Namba, K, Nowaczyk, M.M, Rogner, M, Misumi, Y, Frank, A, Eithar, E.M. | Deposit date: | 2020-01-24 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster. Commun Biol, 4, 2021
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6BKN
 
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6BR5
 
 | N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | Deposit date: | 2017-11-30 | Release date: | 2018-03-07 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.0379076 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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6BR6
 
 | N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | Deposit date: | 2017-11-30 | Release date: | 2018-03-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.03983879 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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6BKR
 
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5MI0
 
 | A thermally stabilised version of Plasmodium falciparum RH5 | Descriptor: | MONOCLONAL ANTIBODY 9AD4, Reticulocyte binding-like protein 5,Reticulocyte binding protein 5 | Authors: | Campeotto, I, Goldenzweig, A, Davey, J, Barfod, L, Marshall, J.M, Silk, S.E, Wright, K.E, Draper, S.J, Higgins, M.K, Fleishman, S.J. | Deposit date: | 2016-11-27 | Release date: | 2016-12-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | One-step design of a stable variant of the malaria invasion protein RH5 for use as a vaccine immunogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5W4H
 
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