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8DND	Crystal structure of Bothrops pirajai Piratoxin-I (PrTX-I) and synthetic inhibitor Varespladib (LY315920) Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog piratoxin-1, SULFATE ION Authors: Salvador, G.H.M, Fontes, M.R.M. Deposit date: 2022-07-11 Release date: 2023-08-02 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.018 Å) Cite: Structural basis of the myotoxic inhibition of the Bothrops pirajai PrTX-I by the synthetic varespladib. Biochimie, 207, 2023
5HM6	N-terminal domain of BfmR from Acinetobacter baumannii Descriptor: BfmR Authors: Roth, B.R, Davies, C. Deposit date: 2016-01-15 Release date: 2017-01-18 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism. J. Mol. Biol., 2018
8DZL	Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A Descriptor: Cytochrome c, somatic, HEME C Authors: Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. Deposit date: 2022-08-08 Release date: 2023-07-19 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
8S2V	SSX structure of Lysozyme grown in microfluidic droplets Descriptor: CHLORIDE ION, Lysozyme C Authors: Stubbs, J, Tews, I, Maly, M. Deposit date: 2024-02-19 Release date: 2024-02-28 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Droplet microfluidics for time-resolved serial crystallography. Iucrj, 11, 2024
8R6T	NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus Descriptor: Putative two thyropin protein (Fragment) Authors: Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. Deposit date: 2023-11-23 Release date: 2024-02-28 Last modified: 2024-03-06 Method: SOLUTION NMR Cite: An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans. Int J Mol Sci, 25, 2024
7RJ9	Crystal structure of the Vitronectin hemopexin-like domain binding Calcium Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ... Authors: Aleshin, A.E, Marassi, F.M. Deposit date: 2021-07-20 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of the Vitronectin hemopexin-like domain binding Calcium To Be Published
8S2U	SSX structure of Lysozyme grown in batch conditions Descriptor: CHLORIDE ION, Lysozyme C Authors: Stubbs, J, Tews, I, Maly, M. Deposit date: 2024-02-19 Release date: 2024-02-28 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Droplet microfluidics for time-resolved serial crystallography. Iucrj, 11, 2024
8DYW	Cryo-EM structure of 239 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 239 Fab heavy chain, 239 Fab light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-05 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3.72 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
7RKT	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate Descriptor: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sharma, V, Podust, L.M. Deposit date: 2021-07-22 Release date: 2022-07-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
5JN0	CRK-II SH2 domain Descriptor: CHLORIDE ION, CRK-II SH2 domain Authors: Cho, J.-H. Deposit date: 2016-04-29 Release date: 2017-08-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.677 Å) Cite: CRK-II SH2 domain To Be Published
8DYY	Cryo-EM structure of 334 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 334 Fab heavy chain, 334 Fab light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-05 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3.62 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
5IVS	Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate Descriptor: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease Authors: Su, H.P. Deposit date: 2016-03-21 Release date: 2016-05-18 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. Acs Med.Chem.Lett., 7, 2016
8DZ3	Cryo-EM structure of 337 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 337 Fab heavy chain, 337 Fab light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-06 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
7RKR	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sharma, V, Podust, L.M. Deposit date: 2021-07-22 Release date: 2022-07-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
8R4U	Structure of salt-inducible kinase 3 with inhibitors Descriptor: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ... Authors: Kack, H, Oster, L. Deposit date: 2023-11-14 Release date: 2024-03-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.416 Å) Cite: The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
8DZ5	Cryo-EM structure of 364 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 364 Fab heavy chain, 364 Fab light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-06 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3.84 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
7RKW	Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate Descriptor: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Sharma, V, Podust, L.M. Deposit date: 2021-07-22 Release date: 2022-07-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
8DYX	Cryo-EM structure of 311 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 311 heavy chain, 311 light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-05 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
5IM0	Crystal structure of the RNA recognition motif of mRNA decay regulator AUF1 Descriptor: Heterogeneous nuclear ribonucleoprotein D0 Authors: Choi, Y.J, Chang, J.H. Deposit date: 2016-03-05 Release date: 2016-08-03 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure of the N-Terminal RNA Recognition Motif of mRNA Decay Regulator AUF1. Biomed Res Int, 2016, 2016
8DZ4	Cryo-EM structure of 356 Fab in complex with recombinant shortened Plasmodium falciparum circumsporozoite protein (rsCSP) Descriptor: 356 Fab heavy chain, 356 Fab light chain, Circumsporozoite protein Authors: Martin, G.M, Ward, A.B. Deposit date: 2022-08-06 Release date: 2023-08-02 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Affinity-matured homotypic interactions induce spectrum of PfCSP structures that influence protection from malaria infection. Nat Commun, 14, 2023
7RKD	X-Ray structure of Insulin Analog GLULISINE Descriptor: Insulin B chain analog, Insulin chain A, ZINC ION Authors: Reyes-Grajeda, J.P. Deposit date: 2021-07-22 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Insulin ANALOGS To Be Published
5IO7	Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa) Descriptor: Beta-lactoglobulin, CHLORIDE ION, DODECANE Authors: Kurpiewska, K, Biela, A. Deposit date: 2016-03-08 Release date: 2016-03-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin. Colloids Surf B Biointerfaces, 161, 2017
5LH4	Trypsin inhibitors for the treatment of pancreatitis - cpd 1 Descriptor: (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... Authors: Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. Deposit date: 2016-07-08 Release date: 2018-01-17 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
8R8X	Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 327 fs time delay Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Barends, T, Schlichting, I. Deposit date: 2023-11-30 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature, 626, 2024
8E6K	2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ... Authors: Turner, H.L, Ozorowski, G, Ward, A.B. Deposit date: 2022-08-22 Release date: 2023-08-09 Last modified: 2023-08-23 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023

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