8RX7
| LTA4 hydrolase in complex with compound2 | Descriptor: | 5-(4-phenoxyphenyl)-1~{H}-imidazole, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2024-02-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor. J.Med.Chem., 67, 2024
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8RX3
| LTA4 hydrolase in complex with CTX-4430 | Descriptor: | 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2024-02-06 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor. J.Med.Chem., 67, 2024
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8RNV
| Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | Deposit date: | 2024-01-11 | Release date: | 2024-01-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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8RI5
| Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-12-18 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.415 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8RI3
| Crystal structure of transplatin/B-DNA adduct obtained upon 7 days of soaking | Descriptor: | AMMONIA, CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-12-18 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8RBX
| Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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8RBV
| SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-05 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific Curr Res Struct Biol, 2024
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8RBS
| Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map. | Descriptor: | Major capsid protein, Penton protein | Authors: | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi. Sci Adv, 10, 2024
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8R7M
| CTX-M14 in complex with boric acid and 1,2-diol boric ester | Descriptor: | BORIC ACID, Beta-lactamase, GLYCEROL, ... | Authors: | Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C. | Deposit date: | 2023-11-26 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the Beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification To Be Published
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8QWS
| Crystal structure of CotB2 variant V80L in complex with alendronate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | Deposit date: | 2023-10-20 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of CotB2 variant V80L in complex with alendronate To Be Published
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8QTF
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8QT5
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8QRE
| Cholera holotoxin (wildtype) | Descriptor: | ACETATE ION, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ... | Authors: | Mojica, N, Cordara, G, Krengel, U. | Deposit date: | 2023-10-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Using Vibrio natriegens for High-Yield Production of Challenging Expression Targets and for Protein Perdeuteration. Biochemistry, 63, 2024
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8QQ4
| LTA4 hydrolase in complex with compound 6(R) | Descriptor: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2023-10-03 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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8QPN
| LTA4 hydrolase in complex with compound 6(S) | Descriptor: | (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2023-10-02 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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8QOW
| LTA4 hydrolase in complex with compound 2(S) | Descriptor: | (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | Authors: | Srinivas, H. | Deposit date: | 2023-09-29 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem., 66, 2023
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8QME
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8QL0
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8QKT
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8QFY
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8QFX
| Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide IPP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gregory, K.S, Acharya, K.R, Cozier, G.E. | Deposit date: | 2023-09-05 | Release date: | 2023-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP. Febs Lett., 598, 2024
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8QFQ
| Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ... | Authors: | Vasseur, C.M, Seebeck, F.P. | Deposit date: | 2023-09-04 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QFO
| Ergothioneine dioxygenase, variant Y149F, from Thermocatellispora tengchongensis in complex with manganese | Descriptor: | ACETATE ION, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vasseur, C.M, Seebeck, F.P. | Deposit date: | 2023-09-04 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QFN
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8QFL
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