5A5Z
 
 | | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria | | Descriptor: | BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION | | Authors: | Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
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8U3B
 | | Cryo-EM structure of E. coli NarL-transcription activation complex at 3.2A | | Descriptor: | DNA (69-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Liu, B, Kompaniiets, D, Wang, D. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis for transcription activation by the nitrate-responsive regulator NarL.
Nucleic Acids Res., 52, 2024
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6AXK
 | | Crystal structure of Fab311 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN, Fab311 heavy chain, ... | | Authors: | Oyen, D, Wilson, I.A. | | Deposit date: | 2017-09-07 | | Release date: | 2017-11-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1XI3
 | | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 | | Descriptor: | NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ... | | Authors: | Zhou, W, Chen, L, Tempel, W, Liu, Z.-J, Habel, J, Lee, D, Lin, D, Chang, S.-H, Dillard, B.D, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Kelley, L.-L.C, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-21 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
To be published
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1AWE
 | | HUMAN SOS1 PLECKSTRIN HOMOLOGY (PH) DOMAIN, NMR, 20 STRUCTURES | | Descriptor: | SOS1 | | Authors: | Zheng, J, Cowburn, D. | | Deposit date: | 1997-10-01 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the pleckstrin homology domain of human SOS1. A possible structural role for the sequential association of diffuse B cell lymphoma and pleckstrin homology domains.
J.Biol.Chem., 272, 1997
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7UCJ
 | | Mammalian 80S translation initiation complex with mRNA and Harringtonine | | Descriptor: | 18S rRNA, 28s rRNA, 40S ribosomal protein S10, ... | | Authors: | Yang, R, Arango, D, Sturgill, D, Oberdoerffer, S. | | Deposit date: | 2022-03-16 | | Release date: | 2022-06-01 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Direct epitranscriptomic regulation of mammalian translation initiation through N4-acetylcytidine.
Mol.Cell, 82, 2022
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1XET
 | | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA | | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase, METHYLMALONYL-COENZYME A | | Authors: | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2004-09-12 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA
To be Published
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1XG7
 | | Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus | | Descriptor: | hypothetical protein | | Authors: | Chang, J, Zhao, M, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Chen, L, Zhou, W, Habel, J, Tempel, W, Lee, D, Lin, D, Chang, S.-H, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Chen, C.-Y, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-16 | | Release date: | 2004-11-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
To be published
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1CP7
 | | AMINOPEPTIDASE FROM STREPTOMYCES GRISEUS | | Descriptor: | AMINOPEPTIDASE, CALCIUM ION, ZINC ION | | Authors: | Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G. | | Deposit date: | 1999-06-10 | | Release date: | 2000-05-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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1CSB
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | Descriptor: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | Deposit date: | 2015-07-16 | | Release date: | 2015-09-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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1ASZ
 | | THE ACTIVE SITE OF YEAST ASPARTYL-TRNA SYNTHETASE: STRUCTURAL AND FUNCTIONAL ASPECTS OF THE AMINOACYLATION REACTION | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | | Authors: | Cavarelli, J, Rees, B, Thierry, J.C, Moras, D. | | Deposit date: | 1995-01-19 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction.
EMBO J., 13, 1994
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8FB9
 | | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8UPS
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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1D4K
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION | | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | Deposit date: | 1999-10-04 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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1ASA
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1ZLM
 | | Crystal structure of the SH3 domain of human osteoclast stimulating factor | | Descriptor: | Osteoclast stimulating factor 1 | | Authors: | Chen, L, Wang, Y, Wells, D, Toh, D, Harold, H, Zhou, J, DiGiammarino, E, Meehan, E.J. | | Deposit date: | 2005-05-06 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Structure of the SH3 domain of human osteoclast-stimulating factor at atomic resolution.
Acta Crystallogr.,Sect.F, 62, 2006
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1XKQ
 | | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234) | | Authors: | Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-29 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published
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8UB3
 | | DpHF7 filament | | Descriptor: | DpHF7 filament | | Authors: | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | | Deposit date: | 2023-09-22 | | Release date: | 2024-04-10 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 19, 2024
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5FXN
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2GTD
 | | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Catalysis of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria | | Descriptor: | Type III Pantothenate Kinase | | Authors: | Yang, K, Eyobo, Y, Brand, A.L, Martynowski, D, Tomchick, D. | | Deposit date: | 2006-04-27 | | Release date: | 2006-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Mechanism of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria.
J.Bacteriol., 188, 2006
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2H47
 | | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1) | | Descriptor: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | | Authors: | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2006-05-23 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
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5FO2
 | | Structure of human transthyretin mutant A108I | | Descriptor: | TRANSTHYRETIN | | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
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