7RY9
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![BU of 7ry9 by Molmil](/molmil-images/mine/7ry9) | S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
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7RY8
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![BU of 7ry8 by Molmil](/molmil-images/mine/7ry8) | S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole | Descriptor: | Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
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7S3S
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![BU of 7s3s by Molmil](/molmil-images/mine/7s3s) | |
7S3K
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![BU of 7s3k by Molmil](/molmil-images/mine/7s3k) | |
7RYB
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![BU of 7ryb by Molmil](/molmil-images/mine/7ryb) | S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
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7Z3X
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![BU of 7z3x by Molmil](/molmil-images/mine/7z3x) | Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*T)-3'), DNA (5'-D(P*GP*TP*())-3'), ... | Authors: | Ni, X, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-02 | Release date: | 2022-11-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA To Be Published
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7ZBV
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![BU of 7zbv by Molmil](/molmil-images/mine/7zbv) | |
7Z5X
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![BU of 7z5x by Molmil](/molmil-images/mine/7z5x) | ROS1 with AstraZeneca ligand 2 | Descriptor: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, Proto-oncogene tyrosine-protein kinase ROS | Authors: | Hargreaves, D. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022
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7YZC
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![BU of 7yzc by Molmil](/molmil-images/mine/7yzc) | Crystal structure of the zebrafish FoxH1 bound to the TGTTTATT site | Descriptor: | ACETATE ION, DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*CP*T)-3'), ... | Authors: | Pluta, R, Macias, M.J. | Deposit date: | 2022-02-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
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7YZ7
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![BU of 7yz7 by Molmil](/molmil-images/mine/7yz7) | Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | Authors: | Pluta, R, Macias, M.J. | Deposit date: | 2022-02-18 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
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7YZB
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![BU of 7yzb by Molmil](/molmil-images/mine/7yzb) | Crystal structure of the human FoxH1 bound to the TGTGGATT site | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | Authors: | Pluta, R, Macias, M.J. | Deposit date: | 2022-02-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
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7YZD
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![BU of 7yzd by Molmil](/molmil-images/mine/7yzd) | |
7S87
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![BU of 7s87 by Molmil](/molmil-images/mine/7s87) | Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 | Descriptor: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2021-09-17 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 To Be Published
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7YZG
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![BU of 7yzg by Molmil](/molmil-images/mine/7yzg) | Crystal structure of the Xenopus FoxH1 bound to the TGTGGATT site | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*TP*G)-3'), Forkhead box protein H1 | Authors: | Pluta, R, Macias, M.J. | Deposit date: | 2022-02-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
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7S5A
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![BU of 7s5a by Molmil](/molmil-images/mine/7s5a) | Crystal structure of human chemokine CCL8 | Descriptor: | C-C motif chemokine 8 | Authors: | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2021-09-10 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZFM
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![BU of 7zfm by Molmil](/molmil-images/mine/7zfm) | Engineered Protein Targeting the Zika Viral Envelope Fusion Loop | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop SSRN, 2022
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7YZE
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![BU of 7yze by Molmil](/molmil-images/mine/7yze) | |
7Z5U
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![BU of 7z5u by Molmil](/molmil-images/mine/7z5u) | Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor | Descriptor: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide, CALCIUM ION, Collagenase ColG, ... | Authors: | Schoenauer, E, Brandstetter, H. | Deposit date: | 2022-03-10 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases. J.Med.Chem., 65, 2022
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7SB8
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![BU of 7sb8 by Molmil](/molmil-images/mine/7sb8) | d(GA(CGA)5) parallel-stranded homo-duplex | Descriptor: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | Authors: | Luteran, E.M, Paukstelis, P.J. | Deposit date: | 2021-09-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.317 Å) | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands. Acta Crystallogr D Struct Biol, 78, 2022
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7ZC8
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![BU of 7zc8 by Molmil](/molmil-images/mine/7zc8) | |
7S0B
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![BU of 7s0b by Molmil](/molmil-images/mine/7s0b) | Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ... | Authors: | Tanaka, S, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2021-08-30 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
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7S0L
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![BU of 7s0l by Molmil](/molmil-images/mine/7s0l) | |
7Z9I
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![BU of 7z9i by Molmil](/molmil-images/mine/7z9i) | ATAD2 in complex with PepLite-Ala | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7Z9U
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![BU of 7z9u by Molmil](/molmil-images/mine/7z9u) | ATAD2 in complex with Acetyl-Lys | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7S7V
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![BU of 7s7v by Molmil](/molmil-images/mine/7s7v) | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor | Descriptor: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | Deposit date: | 2021-09-17 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
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