7Q0V
 
 | | Lysozyme soaked with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
|
|
7Q0W
 | | Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
|
|
7Q0T
 | | Lysozyme soaked with V(IV)OSO4 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
|
|
6X5Q
 | |
5WP2
 | | 1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... | | Authors: | Fielding, A, Dornevil, K, Liu, A. | | Deposit date: | 2017-08-03 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
|
|
5WB1
 | |
6WPL
 | | Structure of Cytochrome P450tcu | | Descriptor: | 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ... | | Authors: | Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2020-04-27 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases.
Biochemistry, 59, 2020
|
|
6NX5
 | |
5WB6
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-06-28 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5WVD
 | | Structure of Mnk1 in complex with DS12881479 | | Descriptor: | 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide, MAP kinase interacting serine/threonine kinase 1, SULFATE ION | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2016-12-24 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel inhibitor stabilizes the inactive conformation of MAPK-interacting kinase 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
5WBG
 | | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | | Descriptor: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-06-29 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
|
|
5WE8
 | |
5WDS
 | | Choanoflagellate Salpingoeca rosetta Ras with GDP bound | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | | Deposit date: | 2017-07-05 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
|
|
6WP0
 | |
5WJJ
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | | Deposit date: | 2017-07-23 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
|
|
6WMI
 | | ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | | Authors: | Ren, R, Horton, J.R, Cheng, X. | | Deposit date: | 2020-04-21 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
|
|
6WRL
 | | The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week | | Descriptor: | ACETATE ION, Lysozyme, Rhodium, ... | | Authors: | Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-04-29 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
|
|
5WNE
 | |
5WQ0
 | | Receiver domain of Spo0A from Paenisporosarcina sp. TG-14 | | Descriptor: | MAGNESIUM ION, Stage 0 sporulation protein | | Authors: | Lee, J.H, Lee, C.W. | | Deposit date: | 2016-11-22 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Crystal structure of the inactive state of the receiver domain of Spo0A from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
J. Microbiol., 55, 2017
|
|
6X1G
 | |
5WNG
 | |
6WZM
 | | LY3041658 Fab bound to CXCL8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ... | | Authors: | Durbin, J.D, Druzina, Z. | | Deposit date: | 2020-05-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
|
|
6WP2
 | |
5WWF
 | | Crystal structure of hnRNPA2B1 in complex with RNA | | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1, RNA | | Authors: | Wu, B.X, Su, S.C, Ma, J.B. | | Deposit date: | 2017-01-01 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1.
Nat Commun, 9, 2018
|
|
6NAN
 | | NMR structure determination of Ixolaris and Factor X interaction reveals a noncanonical mechanism of Kunitz inhibition | | Descriptor: | Ixolaris | | Authors: | De Paula, V.S, Sgourakis, N.G, Francischetti, I.M.B, Almeida, F.C.L, Monteiro, R.Q, Valente, A.P. | | Deposit date: | 2018-12-06 | | Release date: | 2019-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure determination of Ixolaris and factor X(a) interaction reveals a noncanonical mechanism of Kunitz inhibition.
Blood, 134, 2019
|
|
