6SK4
| Methyltransferase MtgA from Desulfitobacterium hafniense in complex with methyl-tetrahydrofolate (P21) | Descriptor: | GLYCEROL, Methylcorrinoid:tetrahydrofolate methyltransferase, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | Authors: | Badmann, T, Groll, M. | Deposit date: | 2019-08-14 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution. Chembiochem, 21, 2020
|
|
7LPO
| Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytoplasmic protein, MAGNESIUM ION | Authors: | Pereira de Sa, N, Del Poeta, M, Airola, M.V. | Deposit date: | 2021-02-12 | Release date: | 2021-09-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents. Nat Commun, 12, 2021
|
|
7LPP
| Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 1 | Descriptor: | 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol, Cytoplasmic protein, GLYCEROL, ... | Authors: | Pereira de Sa, N, Del Poeta, M, Airola, M.V. | Deposit date: | 2021-02-12 | Release date: | 2021-09-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents. Nat Commun, 12, 2021
|
|
1UCO
| HEN EGG-WHITE LYSOZYME, LOW HUMIDITY FORM | Descriptor: | LYSOZYME | Authors: | Nagendra, H.G, Sudarsanakumar, C, Vijayan, M. | Deposit date: | 1995-12-31 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An X-ray analysis of native monoclinic lysozyme. A case study on the reliability of refined protein structures and a comparison with the low-humidity form in relation to mobility and enzyme action. Acta Crystallogr.,Sect.D, 52, 1996
|
|
6TK1
| Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
|
|
6TMT
| Crystal structure of the chaperonin gp146 from the bacteriophage EL 2 (Pseudomonas aeruginosa) in presence of ATP-BeFx, crystal form I | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative GroEL-like chaperonine protein | Authors: | Bracher, A, Paul, S.S, Wang, H, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.03 Å) | Cite: | Structure and conformational cycle of a bacteriophage-encoded chaperonin. Plos One, 15, 2020
|
|
6TTA
| Haddock model of NDM-1/quercetin complex | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION | Authors: | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | Deposit date: | 2019-12-26 | Release date: | 2021-01-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors. Acs Omega, 5, 2020
|
|
6TTF
| PKM2 in complex with Compound 5 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
|
|
6TQY
| |
6TTY
| Structure of ClpP from Staphylococcus aureus (apo, closed state) | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
|
|
3ZP5
| Crystal structure of the DNA binding ETS domain of the human protein FEV in complex with DNA | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP)-3', PROTEIN FEV | Authors: | Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Allerston, C.K, Vollmar, M, Arrowsmith, C.H, Burgess-Brown, N, Edwards, A, von Delft, F, Gileadi, O. | Deposit date: | 2013-02-26 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
|
|
1UH5
| Crystal Structure of Enoyl-ACP Reductase with Triclosan at 2.2angstroms | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, enoyl-ACP reductase | Authors: | Swarnamukhi, P.L, Kapoor, M, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2003-06-24 | Release date: | 2004-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases. J.Mol.Biol., 343, 2004
|
|
6TK5
| Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
|
|
6TO4
| |
6TOE
| |
6TPE
| Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
|
|
6TQW
| |
1Z9W
| Tetrameric structure of apo-7,8-Dihydroneopterin Aldolase from Mycobacterium tuberculosis | Descriptor: | Dihydroneopterin aldolase | Authors: | Goulding, C.W, Apostol, M.I, Sawaya, M.R, Philips, M, Parseghian, A, Eisenberg, D, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2005-04-05 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation by oligomerization in a mycobacterial folate biosynthetic enzyme. J.Mol.Biol., 349, 2005
|
|
6TTI
| PKM2 in complex with Compound 6 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, DIMETHYL SULFOXIDE, Pyruvate kinase PKM, ... | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
|
|
7LKE
| |
6TU3
| Rat 20S proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Deshmukh, F.K, Polkinghorn, C.R, Elad, N, Sharon, M. | Deposit date: | 2020-01-02 | Release date: | 2020-05-13 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Comparative Structural Analysis of 20S Proteasome Ortholog Protein Complexes by Native Mass Spectrometry. Acs Cent.Sci., 6, 2020
|
|
6TR0
| Solution structure of U2AF2 RRM1,2 | Descriptor: | Splicing factor U2AF 65 kDa subunit | Authors: | Kang, H.-S, Sattler, M. | Deposit date: | 2019-12-17 | Release date: | 2020-05-06 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | An autoinhibitory intramolecular interaction proof-reads RNA recognition by the essential splicing factor U2AF2. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6SP8
| Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2019-08-31 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
|
|
7LKD
| |
6SRE
| Crystal Structure of Human Prolidase S202F variant expressed in the presence of chaperones | Descriptor: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | Authors: | Wator, E, Rutkiewicz, M, Wilk, P. | Deposit date: | 2019-09-05 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Co-expression with chaperones can affect protein 3D structure as exemplified by loss-of-function variants of human prolidase. Febs Lett., 594, 2020
|
|