7TC3
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![BU of 7tc3 by Molmil](/molmil-images/mine/7tc3) | Human APE1 in the apo form | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.252 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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6UZ6
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![BU of 6uz6 by Molmil](/molmil-images/mine/6uz6) | |
7VYU
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![BU of 7vyu by Molmil](/molmil-images/mine/7vyu) | |
6PBI
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![BU of 6pbi by Molmil](/molmil-images/mine/6pbi) | Crystal Structure of EcDsbA in a complex with purified morpholine 8 | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-13 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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8D1W
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![BU of 8d1w by Molmil](/molmil-images/mine/8d1w) | Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | Descriptor: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone Frontiers in Molecular Bioscience, 2022
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6LTA
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6B2K
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![BU of 6b2k by Molmil](/molmil-images/mine/6b2k) | E45A/R132T mutant of HIV-1 capsid protein | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-09-20 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
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7T1E
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![BU of 7t1e by Molmil](/molmil-images/mine/7t1e) | Structure of monomeric and dimeric human CCL20 | Descriptor: | C-C motif chemokine 20, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Peterson, F.C, Riutta, S.J, Volkman, B.F. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | The Chemokine, CCL20, and Its Receptor, CCR6, in the Pathogenesis and Treatment of Psoriasis and Psoriatic Arthritis J Psoriasis Psoriatic Arthritis, 8, 2023
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6VFU
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![BU of 6vfu by Molmil](/molmil-images/mine/6vfu) | Crystal structure of human protocadherin 19 EC1-EC4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | Deposit date: | 2020-01-06 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins. Cell Rep, 30, 2020
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8D24
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![BU of 8d24 by Molmil](/molmil-images/mine/8d24) | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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8Q4E
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7T5I
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![BU of 7t5i by Molmil](/molmil-images/mine/7t5i) | Crystal Structure of Strictosidine Synthase in complex with R-IPA(2-(1H-indol-3-yl) propan-1-amine) | Descriptor: | (2R)-2-(1H-indol-3-yl)propan-1-amine, Strictosidine synthase | Authors: | Liu, H, Panjikar, S, Futamura, Y, Shao, N, Osada, H, Zou, H. | Deposit date: | 2021-12-12 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Beta-Branched Tryptamine Provoked Non Sandwich-Like-Mode Catalysis of Strictosidine Synthase to Antimalarial Indole Alkaloids to be published
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7T72
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![BU of 7t72 by Molmil](/molmil-images/mine/7t72) | Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ... | Authors: | Langley, D.B, Christ, D, Rouet, R. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.177 Å) | Cite: | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. Nat Commun, 14, 2023
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7OBG
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7OBK
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6B3E
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![BU of 6b3e by Molmil](/molmil-images/mine/6b3e) | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | Authors: | Ferguson, A.D. | Deposit date: | 2017-09-21 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem, 13, 2018
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7TC2
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![BU of 7tc2 by Molmil](/molmil-images/mine/7tc2) | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2021-12-22 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Characterizing inhibitors of human AP endonuclease 1. Plos One, 18, 2023
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8D71
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![BU of 8d71 by Molmil](/molmil-images/mine/8d71) | Human Ago2 bound to miR122(21nt) | Descriptor: | MAGNESIUM ION, Protein argonaute-2, miR-122-21nt | Authors: | Xiao, Y, MacRae, I. | Deposit date: | 2022-06-07 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A tiny loop in the Argonaute PIWI domain tunes small RNA seed strength. Embo Rep., 24, 2023
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5C0Z
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![BU of 5c0z by Molmil](/molmil-images/mine/5c0z) | The structure of oxidized rat cytochrome c at 1.13 angstroms resolution | Descriptor: | Cytochrome c, somatic, HEME C, ... | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | Deposit date: | 2015-06-12 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1236 Å) | Cite: | Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity. Faseb J., 2019
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6V6O
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![BU of 6v6o by Molmil](/molmil-images/mine/6v6o) | EGFR(T790M/V948R) in complex with LN2380 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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7OBS
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![BU of 7obs by Molmil](/molmil-images/mine/7obs) | |
6VH9
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![BU of 6vh9 by Molmil](/molmil-images/mine/6vh9) | FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, apo form | Descriptor: | Esterase family protein, SODIUM ION | Authors: | Fellner, M, Jamieson, S.A, Brewster, J.L, Mace, P.D. | Deposit date: | 2020-01-09 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus . Acs Infect Dis., 6, 2020
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7W71
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7OB5
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![BU of 7ob5 by Molmil](/molmil-images/mine/7ob5) | |
6V7G
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![BU of 6v7g by Molmil](/molmil-images/mine/6v7g) | |