6YAX
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7ZVX
| Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ... | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | Deposit date: | 2022-05-17 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding. Nucleic Acids Res., 51, 2023
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7ZVN
| Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution | Descriptor: | 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ... | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | Deposit date: | 2022-05-16 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding. Nucleic Acids Res., 51, 2023
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4LMN
| Crystal Structure of MEK1 kinase bound to GDC0973 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ultsch, M.H. | Deposit date: | 2013-07-10 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers. Nature, 501, 2013
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5OCC
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7S6G
| Crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | Deposit date: | 2021-09-14 | Release date: | 2021-10-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Marine picocyanobacterial PhnD1 shows specificity for various phosphorus sources but likely represents a constitutive inorganic phosphate transporter. Isme J, 17, 2023
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5K4J
| Crystal Structure of CDK2 in complex with compound 22 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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5K4I
| Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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6OWY
| Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | Deposit date: | 2019-05-12 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
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6OWX
| Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | Deposit date: | 2019-05-12 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
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6OWZ
| Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | Deposit date: | 2019-05-12 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
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8PX9
| Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A | Descriptor: | MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX5
| Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | Descriptor: | Rpb7-binding protein seb1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXL
| Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX0
| Structure of ribonuclease A, solved at wavelength 2.75 A | Descriptor: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXG
| Structure of Streptactin, solved at wavelength 2.75 A | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PWN
| Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | Descriptor: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | Deposit date: | 2023-07-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX4
| Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | Descriptor: | Diguanylate cyclase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXJ
| Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PYV
| Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXH
| Structure of TauA from E. coli, solved at wavelength 2.375 A | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXC
| Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PZ4
| Structure of alginate transporter, AlgE, solved at wavelength 2.755 A | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXK
| Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PYZ
| Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36 | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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