8BN3
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![BU of 8bn3 by Molmil](/molmil-images/mine/8bn3) | Yeast 80S, ES7s delta, eIF5A, Stm1 containing | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Dimitrova-Paternoga, L, Paternoga, H, Wilson, D.N. | Deposit date: | 2022-11-12 | Release date: | 2024-01-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Evolving precision: rRNA expansion segment 7S modulates translation velocity and accuracy in eukaryal ribosomes. Nucleic Acids Res., 52, 2024
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6HZB
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![BU of 6hzb by Molmil](/molmil-images/mine/6hzb) | |
6HZC
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7DI8
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6IBZ
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![BU of 6ibz by Molmil](/molmil-images/mine/6ibz) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | Descriptor: | 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | Authors: | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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8C0F
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![BU of 8c0f by Molmil](/molmil-images/mine/8c0f) | Tubulin-PTC596 complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | Authors: | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | Deposit date: | 2022-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1005 Å) | Cite: | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent Mol Cancer Ther, 20, 2021
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8BXR
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6I9Y
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![BU of 6i9y by Molmil](/molmil-images/mine/6i9y) | The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2018-11-26 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis. Acs Med.Chem.Lett., 10, 2019
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6I1J
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7D24
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![BU of 7d24 by Molmil](/molmil-images/mine/7d24) | Hsp90 alpha N-terminal domain in complex with a 4B compund | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D26
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![BU of 7d26 by Molmil](/molmil-images/mine/7d26) | Hsp90 alpha N-terminal domain in complex with a 8 compund | Descriptor: | 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D22
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![BU of 7d22 by Molmil](/molmil-images/mine/7d22) | Hsp90 alpha N-terminal domain in complex with a 6B compund | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D25
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![BU of 7d25 by Molmil](/molmil-images/mine/7d25) | Hsp90 alpha N-terminal domain in complex with a 14 compund | Descriptor: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D1V
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![BU of 7d1v by Molmil](/molmil-images/mine/7d1v) | Hsp90 alpha N-terminal domain in complex with a 6C compund | Descriptor: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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6IC0
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![BU of 6ic0 by Molmil](/molmil-images/mine/6ic0) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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6IWB
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![BU of 6iwb by Molmil](/molmil-images/mine/6iwb) | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy. Nat.Biotechnol., 38, 2020
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6IO0
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![BU of 6io0 by Molmil](/molmil-images/mine/6io0) | Human IDH1 R132C mutant complexed with compound A. | Descriptor: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Suzuki, M, Baba, D, Hanzawa, H. | Deposit date: | 2018-10-29 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model. Mol.Cancer Ther., 19, 2020
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7DKM
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![BU of 7dkm by Molmil](/molmil-images/mine/7dkm) | PHGDH covalently linked to oridonin | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ... | Authors: | Sun, Q, Lei, Y. | Deposit date: | 2020-11-25 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors. Cell.Mol.Life Sci., 79, 2021
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8C89
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![BU of 8c89 by Molmil](/molmil-images/mine/8c89) | SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab) | Descriptor: | 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G. | Deposit date: | 2023-01-19 | Release date: | 2024-01-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.41 Å) | Cite: | A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity. Nat Commun, 15, 2024
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7EIV
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![BU of 7eiv by Molmil](/molmil-images/mine/7eiv) | heterotetrameric glycyl-tRNA synthetase from Escherichia coli | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | Authors: | Ju, Y, Zhou, H. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications. Nucleic Acids Res., 49, 2021
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8C58
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![BU of 8c58 by Molmil](/molmil-images/mine/8c58) | CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA | Descriptor: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ... | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | Deposit date: | 2023-01-06 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 2024
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8C59
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![BU of 8c59 by Molmil](/molmil-images/mine/8c59) | CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA | Descriptor: | CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ... | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | Deposit date: | 2023-01-06 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 2024
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8C57
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![BU of 8c57 by Molmil](/molmil-images/mine/8c57) | CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA | Descriptor: | CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ... | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | Deposit date: | 2023-01-06 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 2024
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8C56
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![BU of 8c56 by Molmil](/molmil-images/mine/8c56) | CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA | Descriptor: | Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ... | Authors: | Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M. | Deposit date: | 2023-01-06 | Release date: | 2024-01-17 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cytosine analogues as DNA methyltransferase substrates. Nucleic Acids Res., 2024
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7EMG
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![BU of 7emg by Molmil](/molmil-images/mine/7emg) | Carbonyl Reductase Variant 4 (R123C/L209P/F183Y/V61K) from Serratia marcescens complexed with NADP+ | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, Y.C, Wang, T, Bai, Y.P. | Deposit date: | 2021-04-14 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Stereoselective synthesis of chiral delta-lactones via an engineered carbonyl reductase. Chem.Commun.(Camb.), 57, 2021
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