8U2M
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7TLK
| Crystal Structure of K-Ras(G12S) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71102226 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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5WNG
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4PDC
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4YGZ
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5WBT
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6B3H
| Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | Descriptor: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | Authors: | Su, H.P. | Deposit date: | 2017-09-21 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
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8FVZ
| PiPT Y150A | Descriptor: | CITRATE ANION, PHOSPHATE ION, Phosphate transporter | Authors: | Gupta, M, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2023-01-20 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Roles of PiPT residues in phosphate binding and transport tested by mutagenesis To be published
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8E54
| MicroED structure of triclinic lysozyme recorded on K3 | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | Deposit date: | 2022-08-19 | Release date: | 2022-09-21 | Last modified: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors. J.Struct.Biol., 214, 2022
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7TLG
| Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.80000722 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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6RT3
| Native tetragonal lysozyme - synchrotron data | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Pereira, P.J.B. | Deposit date: | 2019-05-22 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions. Phys Chem Chem Phys, 22, 2020
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5WDQ
| H-Ras mutant L120A bound to GMP-PNP at 100K | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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6S7N
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4YLB
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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
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4PGJ
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6RVG
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6B6S
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6B81
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4YLJ
| Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | Descriptor: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Chaikuad, A, Falke, H, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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5CN6
| Ultrafast dynamics in myoglobin: 0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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7U8H
| Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2022-03-08 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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6S1H
| Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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5CNB
| Ultrafast dynamics in myoglobin: 0.5 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4P2P
| AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R. | Deposit date: | 1991-10-22 | Release date: | 1992-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution Acta Crystallogr.,Sect.B, 47, 1991
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