6FBT
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![BU of 6fbt by Molmil](/molmil-images/mine/6fbt) | The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa in complex with the reaction product NAG-anhNAMpentapeptide | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, NAG-anhNAMpentapeptide, ... | Authors: | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | Deposit date: | 2017-12-19 | Release date: | 2018-04-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8P99
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![BU of 8p99 by Molmil](/molmil-images/mine/8p99) | SARS-CoV-2 S-protein:D614G mutant in 1-up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein | Authors: | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | Deposit date: | 2023-06-05 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein. J.Med.Chem., 66, 2023
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7T0P
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![BU of 7t0p by Molmil](/molmil-images/mine/7t0p) | JAK2 JH2 IN COMPLEX WITH JAK315 | Descriptor: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2021-11-30 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands. J.Med.Chem., 65, 2022
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6S8V
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![BU of 6s8v by Molmil](/molmil-images/mine/6s8v) | Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin | Authors: | Schiefner, A, Deuschle, F.-C, Skerra, A. | Deposit date: | 2019-07-10 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications. Theranostics, 10, 2020
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8PHW
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![BU of 8phw by Molmil](/molmil-images/mine/8phw) | Human OATP1B1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ... | Authors: | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2023-06-20 | Release date: | 2023-09-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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6FCR
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![BU of 6fcr by Molmil](/molmil-images/mine/6fcr) | The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMtetrapeptide-NAG-anhNAMtetrapeptide | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | Deposit date: | 2017-12-21 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8ETQ
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![BU of 8etq by Molmil](/molmil-images/mine/8etq) | |
6PA6
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![BU of 6pa6 by Molmil](/molmil-images/mine/6pa6) | |
5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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7TA4
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![BU of 7ta4 by Molmil](/molmil-images/mine/7ta4) | |
6SDJ
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![BU of 6sdj by Molmil](/molmil-images/mine/6sdj) | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | Descriptor: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6VHQ
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![BU of 6vhq by Molmil](/molmil-images/mine/6vhq) | Crystal structure of Bacillus subtilis levansucrase (D86A/E342A) in complex with oligosaccharides | Descriptor: | BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 68 protein, ... | Authors: | Diaz-Vilchis, A, Raga-Carbajal, E, Rojas-Trejo, S, Olvera, C, Rudino-Pinera, E. | Deposit date: | 2020-01-10 | Release date: | 2021-01-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | The molecular basis of the nonprocessive elongation mechanism in levansucrases. J.Biol.Chem., 296, 2020
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7T70
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![BU of 7t70 by Molmil](/molmil-images/mine/7t70) | |
4Y8V
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![BU of 4y8v by Molmil](/molmil-images/mine/4y8v) | |
7T9Y
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![BU of 7t9y by Molmil](/molmil-images/mine/7t9y) | |
7TA7
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![BU of 7ta7 by Molmil](/molmil-images/mine/7ta7) | |
6XRV
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![BU of 6xrv by Molmil](/molmil-images/mine/6xrv) | |
7TC4
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![BU of 7tc4 by Molmil](/molmil-images/mine/7tc4) | |
5K1U
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![BU of 5k1u by Molmil](/molmil-images/mine/5k1u) | |
6FHM
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![BU of 6fhm by Molmil](/molmil-images/mine/6fhm) | Crystal structure of the F47E mutant of the lipoprotein localization factor, LolA | Descriptor: | GLYCEROL, Outer-membrane lipoprotein carrier protein | Authors: | Kaplan, E, Greene, N.P, Crow, A, Koronakis, V. | Deposit date: | 2018-01-15 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8P1B
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![BU of 8p1b by Molmil](/molmil-images/mine/8p1b) | Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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6SCX
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![BU of 6scx by Molmil](/molmil-images/mine/6scx) | Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Peroxisomal NADH pyrophosphatase NUDT12 | Authors: | McCarthy, A.A, Chen, K.M, Wu, H, Li, L, Homolka, D, Gos, P, Fleury-Olela, F, Pillai, R.S. | Deposit date: | 2019-07-25 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Decapping Enzyme NUDT12 Partners with BLMH for Cytoplasmic Surveillance of NAD-Capped RNAs. Cell Rep, 29, 2019
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6PCV
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![BU of 6pcv by Molmil](/molmil-images/mine/6pcv) | Single Particle Reconstruction of Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 bound to G protein beta gamma subunits | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 | Authors: | Cash, J.N, Cianfrocco, M.A, Tesmer, J.J.G. | Deposit date: | 2019-06-18 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-electron microscopy structure and analysis of the P-Rex1-G beta gamma signaling scaffold. Sci Adv, 5, 2019
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4Y6S
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![BU of 4y6s by Molmil](/molmil-images/mine/4y6s) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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5KBK
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![BU of 5kbk by Molmil](/molmil-images/mine/5kbk) | Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-06-03 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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