4NGZ
| Previously de-ionized HEW lysozyme crystallized in 0.5 M YbCl3/30% (v/v) glycerol and collected at 125K | Descriptor: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-03 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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8GK3
| Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate | Descriptor: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Liu, J, Scott, E.E. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human cytochrome P450 3A7 binding four copies of its native substrate dehydroepiandrosterone 3-sulfate. J.Biol.Chem., 299, 2023
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6LAS
| the wildtype SAM-VI riboswitch bound to SAM | Descriptor: | RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A | Authors: | Ren, A, Sun, A. | Deposit date: | 2019-11-13 | Release date: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination. Nat Commun, 10, 2019
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6B8Y
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7NNS
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ... | Authors: | Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2021-02-25 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib To Be Published
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6B6P
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4NI0
| Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | Descriptor: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | Deposit date: | 2013-11-05 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
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6L5V
| Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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7V40
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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6B83
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7V41
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene. | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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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
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7V44
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene. | Descriptor: | 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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6L69
| Crystal structure of CYP154C2 from Streptomyces avermitilis | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S. | Deposit date: | 2019-10-28 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis. Biochem.Biophys.Res.Commun., 522, 2020
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7V43
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene. | Descriptor: | 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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5YUF
| Crystal Structure of PML RING tetramer | Descriptor: | Protein PML, ZINC ION | Authors: | Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G. | Deposit date: | 2017-11-22 | Release date: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | RING tetramerization is required for nuclear body biogenesis and PML sumoylation. Nat Commun, 9, 2018
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7V42
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol. | Descriptor: | PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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7V45
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene. | Descriptor: | 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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8G47
| KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold | Descriptor: | AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2023-02-08 | Release date: | 2023-08-09 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold. Proc.Natl.Acad.Sci.USA, 120, 2023
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4NIV
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5WNG
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6BR6
| N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | Deposit date: | 2017-11-30 | Release date: | 2018-03-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03983879 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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7V46
| Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene. | Descriptor: | 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2021-08-12 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis, 12, 2022
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5WNE
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6BTH
| Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG) | Descriptor: | 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | Deposit date: | 2017-12-06 | Release date: | 2018-12-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight. Sci Adv, 6, 2020
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