8RAB
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7QZP
| Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii | Descriptor: | Hypothetical RNA binding protein from Acinetobacter baumannii | Authors: | Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A. | Deposit date: | 2022-01-31 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii . Biomolecules, 12, 2022
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5HCT
| Endothiapepsin in complex with biacylhydrazone | Descriptor: | 1,2-ETHANEDIOL, 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name), ACETATE ION, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-01-04 | Release date: | 2016-07-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry. Angew.Chem.Int.Ed.Engl., 55, 2016
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8R8H
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5KPL
| Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5HU0
| BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide | Authors: | Orth, P. | Deposit date: | 2016-01-27 | Release date: | 2016-11-09 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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8R93
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7QGC
| H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | Descriptor: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | Deposit date: | 2021-12-08 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes. Sci Rep, 12, 2022
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8R9K
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8RA4
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5KSJ
| Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | Deposit date: | 2016-07-08 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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8RA7
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8RNY
| Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | Deposit date: | 2024-01-11 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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8R8G
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8R91
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8R9I
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8RA5
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8R92
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8R9C
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5HZP
| Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M49 protein. | Descriptor: | C4b-binding protein alpha chain, M protein, serotype 49, ... | Authors: | Buffalo, C.Z, Bahn-Suh, A.J, Ghosh, P. | Deposit date: | 2016-02-02 | Release date: | 2016-07-20 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Conserved patterns hidden within group A Streptococcus M protein hypervariability recognize human C4b-binding protein. Nat Microbiol, 1, 2016
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8R9J
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8RA6
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5KWM
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5HIW
| Sorangium cellulosum So Ce56 cytochrome P450 260B1 | Descriptor: | Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2016-01-12 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1. Febs Lett., 590, 2016
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5KTZ
| expanded poliovirus in complex with VHH 12B | Descriptor: | Genome polyprotein, VHH 12B, VP1, ... | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
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