8U7M
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![BU of 8u7m by Molmil](/molmil-images/mine/8u7m) | Human retinal variant phosphomimetic IMPDH1(595)-S477D free octamer bound by GTP, ATP, IMP, and NAD+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | Calise, S.J, Kollman, J.M. | Deposit date: | 2023-09-15 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly. J.Cell Biol., 223, 2024
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8TRM
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![BU of 8trm by Molmil](/molmil-images/mine/8trm) | Actin 1 from T. gondii in filaments bound to MgADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | Deposit date: | 2023-08-09 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover. Nat Commun, 15, 2024
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9BF2
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![BU of 9bf2 by Molmil](/molmil-images/mine/9bf2) | MID domain of Ago2 bound to UMP | Descriptor: | Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2024-04-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth. Curr Protoc, 4, 2024
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8TRN
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![BU of 8trn by Molmil](/molmil-images/mine/8trn) | Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ... | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | Deposit date: | 2023-08-09 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover. Nat Commun, 15, 2024
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9BAF
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![BU of 9baf by Molmil](/molmil-images/mine/9baf) | Solution NMR structure of conofurin-Delta | Descriptor: | Alpha-conotoxin LvIA | Authors: | Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. | Deposit date: | 2024-04-04 | Release date: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors. J.Med.Chem., 67, 2024
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9FVO
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![BU of 9fvo by Molmil](/molmil-images/mine/9fvo) | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | Deposit date: | 2024-06-27 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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9BF0
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![BU of 9bf0 by Molmil](/molmil-images/mine/9bf0) | MID domain of human Argo2 bound to UTP | Descriptor: | Protein argonaute-2, URIDINE 5'-TRIPHOSPHATE | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2024-04-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth. Curr Protoc, 4, 2024
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8TLC
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![BU of 8tlc by Molmil](/molmil-images/mine/8tlc) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor | Descriptor: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-07-26 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8UH2
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![BU of 8uh2 by Molmil](/molmil-images/mine/8uh2) | Complex of C3b with the inhibitor albicin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, Complement C3 beta chain, ... | Authors: | Andersen, J.F, Lei, H, Strayer, E, Ribeiro, J.M. | Deposit date: | 2023-10-06 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The mechanism of a mosquito salivary inhibitor of the alternative C3 convertase is elucidated through structural analysis of its complex with C3bBb To Be Published
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8VCI
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![BU of 8vci by Molmil](/molmil-images/mine/8vci) | SARS-CoV-2 Frameshift Stimulatory Element with Upstream Multibranch Loop | Descriptor: | Frameshift Stimulatory Element with Upstream Multi-branch Loop | Authors: | Peterson, J.M, Becker, S.T, O'Leary, C.A, Juneja, P, Yang, Y, Moss, W.N. | Deposit date: | 2023-12-14 | Release date: | 2024-01-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop. Biochemistry, 63, 2024
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8URV
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![BU of 8urv by Molmil](/molmil-images/mine/8urv) | |
8V8Z
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![BU of 8v8z by Molmil](/molmil-images/mine/8v8z) | |
9BJU
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![BU of 9bju by Molmil](/molmil-images/mine/9bju) | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | Deposit date: | 2024-04-25 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
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9BEZ
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![BU of 9bez by Molmil](/molmil-images/mine/9bez) | MID domain of human Argo2 bound to RNA | Descriptor: | Protein argonaute-2, [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2024-04-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth. Curr Protoc, 4, 2024
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9BOL
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![BU of 9bol by Molmil](/molmil-images/mine/9bol) | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | Descriptor: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | Deposit date: | 2024-05-03 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
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8V55
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![BU of 8v55 by Molmil](/molmil-images/mine/8v55) | Human mitochondrial DNA polymerase gamma bound to a replication fork in an open conformation | Descriptor: | DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ... | Authors: | Riccio, A.A, Krahn, J.M, Bouvette, J, Borgnia, M.J, Copeland, W.C. | Deposit date: | 2023-11-30 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Coordinated DNA polymerization by Pol gamma and the region of LonP1 regulated proteolysis. Nucleic Acids Res., 2024
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4GMY
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![BU of 4gmy by Molmil](/molmil-images/mine/4gmy) | |
4ZN0
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3LVS
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![BU of 3lvs by Molmil](/molmil-images/mine/3lvs) | Crystal structure of farnesyl diphosphate synthase from rhodobacter capsulatus sb1003 | Descriptor: | FARNESYL DIPHOSPHATE SYNTHASE, GLYCEROL, PHOSPHATE ION | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-22 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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3MSK
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![BU of 3msk by Molmil](/molmil-images/mine/3msk) | Fragment Based Discovery and Optimisation of BACE-1 Inhibitors | Descriptor: | 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. | Deposit date: | 2010-04-29 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6KVQ
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![BU of 6kvq by Molmil](/molmil-images/mine/6kvq) | S. aureus FtsZ in complex with BOFP (compound 3) | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | Deposit date: | 2019-09-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep, 9, 2019
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6KVP
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![BU of 6kvp by Molmil](/molmil-images/mine/6kvp) | S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2) | Descriptor: | 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | Deposit date: | 2019-09-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep, 9, 2019
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5L4Q
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![BU of 5l4q by Molmil](/molmil-images/mine/5l4q) | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | Descriptor: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | Authors: | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | Deposit date: | 2016-05-26 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity. J.Med.Chem., 2019
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6Z1M
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![BU of 6z1m by Molmil](/molmil-images/mine/6z1m) | Structure of an Ancestral glycosidase (family 1) bound to heme | Descriptor: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-14 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6Z1H
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![BU of 6z1h by Molmil](/molmil-images/mine/6z1h) | Ancestral glycosidase (family 1) | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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