6YAH
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![BU of 6yah by Molmil](/molmil-images/mine/6yah) | AP2 in clathrin coats assembled on a membrane containing dileucine- and tyrosine-based cargo peptides | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Kovtun, O, Kane Dickson, V, Kelly, B.T, Owen, D, Briggs, J.A.G. | Deposit date: | 2020-03-12 | Release date: | 2020-07-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (10.2 Å) | Cite: | Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles. Sci Adv, 6, 2020
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | Deposit date: | 2022-10-17 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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8BWC
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![BU of 8bwc by Molmil](/molmil-images/mine/8bwc) | E. coli BAM complex (BamABCDE) wild-type | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Machin, J.M, Radford, S.E, Ranson, N.A. | Deposit date: | 2022-12-06 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells. Angew.Chem.Int.Ed.Engl., 62, 2023
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6PTM
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6PU0
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![BU of 6pu0 by Molmil](/molmil-images/mine/6pu0) | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | Descriptor: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | Deposit date: | 2019-07-16 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8979 Å) | Cite: | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon. Proc.Natl.Acad.Sci.USA, 116, 2019
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4RRW
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![BU of 4rrw by Molmil](/molmil-images/mine/4rrw) | Crystal Structure of Apo Murine Cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-11-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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8EXC
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![BU of 8exc by Molmil](/molmil-images/mine/8exc) | Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ... | Authors: | Kohlbrand, A.J, O'Herin, C.B. | Deposit date: | 2022-10-25 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 2023
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7KB9
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![BU of 7kb9 by Molmil](/molmil-images/mine/7kb9) | THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, D238-T240 deletion mutant | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Sensor histidine kinase | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 2021
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6VLV
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![BU of 6vlv by Molmil](/molmil-images/mine/6vlv) | Factor XIa in complex with compound 11 | Descriptor: | 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain | Authors: | Lesburg, C.A. | Deposit date: | 2020-01-27 | Release date: | 2020-05-06 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020
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4RUN
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6PV4
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![BU of 6pv4 by Molmil](/molmil-images/mine/6pv4) | Structure of CpGH84A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-07-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
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5Y8G
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![BU of 5y8g by Molmil](/molmil-images/mine/5y8g) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate Dehydrogenase (MtHIBADH) | Descriptor: | (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ... | Authors: | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | Deposit date: | 2017-08-21 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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8EUK
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7NG1
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![BU of 7ng1 by Molmil](/molmil-images/mine/7ng1) | Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2021-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides. J.Med.Chem., 64, 2021
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8SLV
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![BU of 8slv by Molmil](/molmil-images/mine/8slv) | Structure of a salivary alpha-glucosidase from the mosquito vector Aedes aegypti. | Descriptor: | 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gittis, A.G, Williams, A.E, Garboczi, D, Calvo, E. | Deposit date: | 2023-04-24 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus. Insect Biochem.Mol.Biol., 167, 2024
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6PWM
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![BU of 6pwm by Molmil](/molmil-images/mine/6pwm) | ADC-7 in complex with Beta-lactam antibiotic ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCINE | Authors: | Curtis, B.C, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-07-23 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
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6VMA
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8F0F
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![BU of 8f0f by Molmil](/molmil-images/mine/8f0f) | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-11-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg.Med.Chem.Lett., 83, 2023
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7ZQB
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![BU of 7zqb by Molmil](/molmil-images/mine/7zqb) | Tail tip of siphophage T5 : full structure | Descriptor: | Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ... | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2022-04-29 | Release date: | 2023-02-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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6PZ8
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![BU of 6pz8 by Molmil](/molmil-images/mine/6pz8) | MERS S0 trimer in complex with variable domain of antibody G2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G2 heavy chain, ... | Authors: | Bowman, C.A, Pallesen, J, Ward, A.B. | Deposit date: | 2019-07-31 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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7QXA
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![BU of 7qxa by Molmil](/molmil-images/mine/7qxa) | Cryo-EM map of human telomerase-DNA-TPP1 complex (sharpened) | Descriptor: | Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ... | Authors: | Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of human telomerase recruitment by TPP1-POT1. Science, 375, 2022
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5HPF
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![BU of 5hpf by Molmil](/molmil-images/mine/5hpf) | Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain from Acinetobacter | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A. | Deposit date: | 2016-01-20 | Release date: | 2016-09-07 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor. Nucleic Acids Res., 44, 2016
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7NKW
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![BU of 7nkw by Molmil](/molmil-images/mine/7nkw) | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-02-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector To Be Published
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6FPP
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![BU of 6fpp by Molmil](/molmil-images/mine/6fpp) | Structure of S. pombe Mmi1 | Descriptor: | GLYCEROL, MAGNESIUM ION, YTH domain-containing protein mmi1 | Authors: | Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. | Deposit date: | 2018-02-11 | Release date: | 2018-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding. J. Biol. Chem., 293, 2018
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5HP3
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![BU of 5hp3 by Molmil](/molmil-images/mine/5hp3) | Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | Authors: | Matthews, M.M, Fisher, A.J, Beal, P.A. | Deposit date: | 2016-01-20 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity. Nat.Struct.Mol.Biol., 23, 2016
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