8J3S
| Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand | Descriptor: | Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY | Authors: | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14, 2023
|
|
4JKX
| Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Meyer, A, Barciszewski, J, Betzel, C, Mikhailov, A.M. | Deposit date: | 2013-03-12 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure Mistletoe Lectin I from Viscum album in complex with kinetin at 2.35 A resolution. To be Published
|
|
6Z9G
| Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-03 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
|
|
6WF4
| Crystal Structure of TerC Co-crystallized with Polyporic Acid | Descriptor: | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one, ISOPROPYL ALCOHOL, Terfestatin Biosyntheis Enzyme C | Authors: | Clinger, J.A, Miller, M.D, Hall, R.E, Zhang, Y, Elshahawi, S.I, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2020-04-03 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and functional characterization of two cooperative enzymes responsible for the stability
of p-terphenyls. To be published
|
|
6ZI7
| Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose | Descriptor: | (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, FORMIC ACID, ... | Authors: | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I. | Deposit date: | 2020-06-25 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
|
|
1JMZ
| crystal structure of a quinohemoprotein amine dehydrogenase from pseudomonas putida with inhibitor | Descriptor: | Amine Dehydrogenase, HEME C, NICKEL (II) ION, ... | Authors: | Satoh, A, Miyahara, I, Hirotsu, K. | Deposit date: | 2001-07-20 | Release date: | 2002-01-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of quinohemoprotein amine dehydrogenase from Pseudomonas putida. Identification of a novel quinone cofactor encaged by multiple thioether cross-bridges. J.Biol.Chem., 277, 2002
|
|
7QR3
| Chimpanzee CPEB3 HDV-like ribozyme | Descriptor: | GLYCEROL, POTASSIUM ION, U1 small nuclear ribonucleoprotein A, ... | Authors: | Przytula-Mally, A.I, Engilberge, S, Johannsen, S, Olieric, V, Masquida, B, Sigel, R.K.O. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Anticodon-like loop-mediated dimerization in the crystal structures of HdV-like CPEB3 ribozymes Biorxiv, 2022
|
|
5NSW
| Xenon for tunnelling analysis of the efflux pump component OprN. | Descriptor: | Multidrug efflux outer membrane protein OprN, NICKEL (II) ION, PALMITIC ACID, ... | Authors: | Phan, G, Prange, T, Enguene Ntsogo, Y.V, Garnier, C, Ducruix, A, Broutin, I. | Deposit date: | 2017-04-27 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Xenon for tunnelling analysis of the efflux pump component OprN. PLoS ONE, 12, 2017
|
|
6ZA1
| Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-04 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
|
|
5FPY
| Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. | Descriptor: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 | Authors: | Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-03 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6Z0C
| Structure of in silico modelled artificial Maquette-3 protein | Descriptor: | Maquette-3, POTASSIUM ION | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-08 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of buried charged networks in artificial proteins Nat Commun, 12, 2021
|
|
1EBE
| Laue diffraction study on the structure of cytochrome c peroxidase compound I | Descriptor: | CYTOCHROME C PEROXIDASE, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fulop, V, Phizackerley, R.P, Soltis, S.M, Clifton, I.J, Wakatsuki, S, Erman, J.E, Hajdu, J, Edwards, S.L. | Deposit date: | 2001-07-25 | Release date: | 2001-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Laue Diffraction Study on the Structure of Cytochrome C Peroxidase Compound I Structure, 2, 1994
|
|
7QTV
| Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx) | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | Deposit date: | 2022-01-16 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.05 Å) | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state. J.Biol.Chem., 298, 2022
|
|
6X6P
| Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | Deposit date: | 2020-05-28 | Release date: | 2020-06-10 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis. Biorxiv, 2020
|
|
5NDG
| Crystal structure of geneticin (G418) bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8JL8
| Crystal structure of the collagen binding domain of Cnm from Streptococcus mutans | Descriptor: | Collagen-binding adhesin, GLYCEROL, SULFATE ION | Authors: | Tanaka, S.-i, Hirata, A, Takano, K. | Deposit date: | 2023-06-02 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure, Stability and Binding Properties of Collagen-Binding Domains from Streptococcus mutans. Chemistry, 5, 2023
|
|
5NDJ
| Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6ZIE
| Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B | Descriptor: | CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I. | Deposit date: | 2020-06-25 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting. Sci Adv, 7, 2021
|
|
8IYP
| Crystal structure of serine palmitoyltransferase soaked in 190 mM D-serine solution | Descriptor: | 1,2-ETHANEDIOL, Serine palmitoyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | Authors: | Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T. | Deposit date: | 2023-04-05 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Crystal structure of Serine Palmitoyltransferase from Sphingobacterium multivorum To Be Published
|
|
6YZF
| Crystal structure of the M295Y variant of Ssl1 | Descriptor: | COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ... | Authors: | Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I. | Deposit date: | 2020-05-06 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase To Be Published
|
|
6DV0
| HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-06-22 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
|
|
7QFI
| Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182) | Descriptor: | CALCIUM ION, SlpX | Authors: | Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6YZD
| |
3QPR
| HK97 Prohead I encapsidating inactive virally encoded protease | Descriptor: | Major capsid protein | Authors: | Huang, R.K, Khayat, R, Lee, K.K, Gertsman, I, Duda, R.L, Hendrix, R.W, Johnson, J.E. | Deposit date: | 2011-02-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (5.2 Å) | Cite: | The Prohead-I structure of bacteriophage HK97: implications for scaffold-mediated control of particle assembly and maturation. J.Mol.Biol., 408, 2011
|
|
6YZY
| |