7YWN
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![BU of 7ywn by Molmil](/molmil-images/mine/7ywn) | Six DNA Helix Bundle nanopore - State 4 | Descriptor: | DNA (50-MER) | Authors: | Javed, A, Ahmad, K, Lanphere, C, Orlova, E.V, Coveney, P, Howorka, S. | Deposit date: | 2022-02-14 | Release date: | 2023-05-24 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations. Nat Commun, 14, 2023
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6F7R
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![BU of 6f7r by Molmil](/molmil-images/mine/6f7r) | AKR1B1 at 0.03 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-11 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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8UCV
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![BU of 8ucv by Molmil](/molmil-images/mine/8ucv) | Complete DNA termination subcomplex 1 of Xenopus laevis DNA polymerase alpha-primase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ... | Authors: | Mullins, E.A, Chazin, W.C, Eichman, B.F. | Deposit date: | 2023-09-27 | Release date: | 2023-10-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
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5MJO
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![BU of 5mjo by Molmil](/molmil-images/mine/5mjo) | Structure of Psb29 at 1.55A | Descriptor: | IODIDE ION, MERCURY (II) ION, Protein Thf1 | Authors: | Murray, J.W, Kozlo, A. | Deposit date: | 2016-12-01 | Release date: | 2017-08-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of Psb29/Thf1 and its association with the FtsH protease complex involved in photosystem II repair in cyanobacteria. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 372, 2017
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6F50
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8ORM
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![BU of 8orm by Molmil](/molmil-images/mine/8orm) | Cryo-EM structure of CAK-THZ1 | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-04-14 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8C3G
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![BU of 8c3g by Molmil](/molmil-images/mine/8c3g) | Crystal structure of DYRK1A in complex with AZ191 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ... | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-12-23 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural perspective on the design of selective DYRK1B inhibitors To Be Published
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6Y7O
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![BU of 6y7o by Molmil](/molmil-images/mine/6y7o) | The complex between the eight-bladed symmetrical designer protein Tako8 and the silicotungstic acid Keggin (STA) | Descriptor: | Keggin (STA), Tako8 | Authors: | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2020-03-02 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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6FAA
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![BU of 6faa by Molmil](/molmil-images/mine/6faa) | CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ETHANOL, GLYCEROL, ... | Authors: | Schmitt, A, Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2017-12-15 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of the spliceosomal DEAH-box ATPase Prp2. Acta Crystallogr D Struct Biol, 74, 2018
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6SJ9
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![BU of 6sj9 by Molmil](/molmil-images/mine/6sj9) | Proteasome accessory factor B/C (PafBC) of Arthrobacter aurescens | Descriptor: | DI(HYDROXYETHYL)ETHER, POTASSIUM ION, Proteasome accessory factor B/C (PafBC), ... | Authors: | Mueller, A.U, Leibundgut, M, Ban, N, Weber-Ban, E. | Deposit date: | 2019-08-13 | Release date: | 2019-10-16 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and functional implications of WYL domain-containing bacterial DNA damage response regulator PafBC. Nat Commun, 10, 2019
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5KIF
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![BU of 5kif by Molmil](/molmil-images/mine/5kif) | Structural impact of single ribonucleotides in DNA | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3') | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | Deposit date: | 2016-06-16 | Release date: | 2016-08-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA. Chembiochem, 17, 2016
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6VH2
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![BU of 6vh2 by Molmil](/molmil-images/mine/6vh2) | 2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i | Descriptor: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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6F6J
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![BU of 6f6j by Molmil](/molmil-images/mine/6f6j) | Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/succinate/(3S)-3-hydroxy-L-lysine | Descriptor: | (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid, ACETATE ION, FE (III) ION, ... | Authors: | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-12-05 | Release date: | 2018-11-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6FCS
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![BU of 6fcs by Molmil](/molmil-images/mine/6fcs) | The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ... | Authors: | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | Deposit date: | 2017-12-21 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F82
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![BU of 6f82 by Molmil](/molmil-images/mine/6f82) | AKR1B1 at 1.65 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-12 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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6P6V
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![BU of 6p6v by Molmil](/molmil-images/mine/6p6v) | HCV NS3/4A protease domain of genotype 5a in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
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8OX1
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![BU of 8ox1 by Molmil](/molmil-images/mine/8ox1) | Structure of TRF1core in complex with telomeric nucleosome | Descriptor: | Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, Histone H3.1, ... | Authors: | Hu, H, van Roon, A.M.M, Ghanim, G.E, Ahsan, B, Oluwole, A, Peak-Chew, S, Robinson, C.V, Nguyen, T.H.D. | Deposit date: | 2023-04-28 | Release date: | 2023-08-30 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of telomeric nucleosome recognition by shelterin factor TRF1. Sci Adv, 9, 2023
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8P5N
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![BU of 8p5n by Molmil](/molmil-images/mine/8p5n) | Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate | Descriptor: | ARSENATE, GLYCEROL, Low molecular weight phosphatase family protein | Authors: | Gouveia, A.G, Matias, P.M, Romao, C.V. | Deposit date: | 2023-05-24 | Release date: | 2023-08-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus . Front Microbiol, 14, 2023
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6SL8
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![BU of 6sl8 by Molmil](/molmil-images/mine/6sl8) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) | Descriptor: | 2,4-DIAMINOBUTYRIC ACID, GLYCEROL, L-2,4-diaminobutyric acid acetyltransferase, ... | Authors: | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | Deposit date: | 2019-08-19 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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8TFI
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![BU of 8tfi by Molmil](/molmil-images/mine/8tfi) | |
6SI0
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![BU of 6si0 by Molmil](/molmil-images/mine/6si0) | p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 | Descriptor: | 1,2-ETHANEDIOL, 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6SLF
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4Y4T
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![BU of 4y4t by Molmil](/molmil-images/mine/4y4t) | Endothiapepsin in complex with fragment 114 | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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7TBB
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![BU of 7tbb by Molmil](/molmil-images/mine/7tbb) | Crystal structure of Plasmepsin X from Plasmodium falciparum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | Authors: | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax. Structure, 30, 2022
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5K05
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![BU of 5k05 by Molmil](/molmil-images/mine/5k05) | Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | Descriptor: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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