6Y1G
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![BU of 6y1g by Molmil](/molmil-images/mine/6y1g) | Photoconverted HcRed in its optoacoustic state | Descriptor: | 1,2-ETHANEDIOL, GFP-like non-fluorescent chromoprotein | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | Deposit date: | 2020-02-12 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Challenging a Preconception: Optoacoustic Spectrum Differs from the Optical Absorption Spectrum of Proteins and Dyes for Molecular Imaging. Anal.Chem., 92, 2020
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2WHX
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![BU of 2whx by Molmil](/molmil-images/mine/2whx) | A second conformation of the NS3 protease-helicase from dengue virus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Luo, D, Lescar, J. | Deposit date: | 2009-05-07 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Flexibility between the Protease and Helicase Domains of the Dengue Virus Ns3 Protein Conferred by the Linker Region and its Functional Implications. J.Biol.Chem., 285, 2010
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6L9H
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![BU of 6l9h by Molmil](/molmil-images/mine/6l9h) | The Human Telomeric Nucleosome Displays Distinct Structural and Dynamic Properties | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-K, Histone H3.1, ... | Authors: | Soman, A, Liew, C.W, Teo, H.L, Berezhnoy, N, Korolev, N, Rhodes, D, Nordenskiold, L. | Deposit date: | 2019-11-10 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The human telomeric nucleosome displays distinct structural and dynamic properties. Nucleic Acids Res., 48, 2020
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6LA9
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![BU of 6la9 by Molmil](/molmil-images/mine/6la9) | 349 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 (high cryoprotectant) | Descriptor: | CALCIUM ION, DNA (349-MER), Histone H1.0, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-12 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Near-atomic resolution structures of interdigitated nucleosome fibres. Nat Commun, 11, 2020
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6LDM
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![BU of 6ldm by Molmil](/molmil-images/mine/6ldm) | Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA-binding protein RAP1, G-guadruplex DNA, ... | Authors: | Traczyk, A, Gill, D.J, Chong, W.L, Rhodes, D. | Deposit date: | 2019-11-22 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1. Nucleic Acids Res., 48, 2020
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6V2N
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![BU of 6v2n by Molmil](/molmil-images/mine/6v2n) | Crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Lys254Ser | Descriptor: | ACETATE ION, CALCIUM ION, Phosphoenolpyruvate carboxykinase (ATP) | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochim Biophys Acta Gen Subj, 1864, 2020
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6UQ2
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![BU of 6uq2 by Molmil](/molmil-images/mine/6uq2) | RNA polymerase II elongation complex with dG in state 1 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2019-10-18 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6LHI
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![BU of 6lhi by Molmil](/molmil-images/mine/6lhi) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | Descriptor: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2019-12-09 | Release date: | 2020-12-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
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6V67
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![BU of 6v67 by Molmil](/molmil-images/mine/6v67) | Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 | Descriptor: | PD-1 Binding Miniprotein GR918.2 | Authors: | Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Computational design of a synthetic PD-1 agonist. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Y6B
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![BU of 6y6b by Molmil](/molmil-images/mine/6y6b) | Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol, 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2 | Authors: | Lentini Santo, D, Obsilova, V, Obsil, T. | Deposit date: | 2020-02-26 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins. Acs Chem.Biol., 15, 2020
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2X34
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![BU of 2x34 by Molmil](/molmil-images/mine/2x34) | Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown | Descriptor: | CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8 | Authors: | Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B. | Deposit date: | 2010-01-19 | Release date: | 2010-03-23 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown FEBS Lett., 584, 2010
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5CNB
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![BU of 5cnb by Molmil](/molmil-images/mine/5cnb) | Ultrafast dynamics in myoglobin: 0.5 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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6L9Z
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![BU of 6l9z by Molmil](/molmil-images/mine/6l9z) | 338 bp di-nucleosome assembled with linker histone H1.X | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (338-MER), ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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6UZO
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![BU of 6uzo by Molmil](/molmil-images/mine/6uzo) | |
6LAB
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![BU of 6lab by Molmil](/molmil-images/mine/6lab) | 169 bp nucleosome, harboring cohesive DNA termini, assembled with linker histone H1.0 | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (169-MER), ... | Authors: | Adhireksan, Z, Sharma, D, Bao, Q, Lee, P.L, Padavattan, S, Davey, C.A. | Deposit date: | 2019-11-12 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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6LA2
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![BU of 6la2 by Molmil](/molmil-images/mine/6la2) | 343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 | Descriptor: | DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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6LER
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![BU of 6ler by Molmil](/molmil-images/mine/6ler) | 169 bp nucleosome harboring non-identical cohesive DNA termini. | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ... | Authors: | Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-26 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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6YH0
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![BU of 6yh0 by Molmil](/molmil-images/mine/6yh0) | Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate | Descriptor: | Agglutinin, CALCIUM ION, CHLORIDE ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2020-03-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
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5CM2
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![BU of 5cm2 by Molmil](/molmil-images/mine/5cm2) | Structure of Y. lipolytica Trm9-Trm112 complex, a methyltransferase modifying U34 in the anticodon loop of some tRNAs | Descriptor: | TRNA METHYLTRANSFERASE, TRNA METHYLTRANSFERASE ACTIVATOR SUBUNIT, ZINC ION | Authors: | Letoquart, J, van Tran, N, Caroline, V, Aleksandrov, A, Lazar, N, Van Tilbeurgh, H, Liger, D, Graille, M. | Deposit date: | 2015-07-16 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure. Nucleic Acids Res., 43, 2015
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4MT6
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![BU of 4mt6 by Molmil](/molmil-images/mine/4mt6) | |
5CNG
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![BU of 5cng by Molmil](/molmil-images/mine/5cng) | ultrafast dynamics in myoglobin: 150 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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6LCI
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![BU of 6lci by Molmil](/molmil-images/mine/6lci) | Solution structure of mdaA-1 domain | Descriptor: | mdaA-1 | Authors: | Nguyen, T.A, Le, S, Lee, M, Fan, J.S, Yang, D, Yan, J, Jedd, G. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Fungal Wound Healing through Instantaneous Protoplasmic Gelation. Curr.Biol., 31, 2021
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6YHV
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![BU of 6yhv by Molmil](/molmil-images/mine/6yhv) | Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: unliganded Tse8 | Descriptor: | COPPER (II) ION, Tse8 | Authors: | Sainz-Polo, M.A, Capuni, R, Pretre, G, Gonzalez-Magana, A, Lucas, M, Altuna, J, Montanchez, I, Fucini, P, Albesa-Jove, D. | Deposit date: | 2020-03-31 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8. J.Struct.Biol., 212, 2020
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6LAG
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![BU of 6lag by Molmil](/molmil-images/mine/6lag) | Solution structure of SPA-2 SHD | Descriptor: | Spa2-like protein | Authors: | Fan, J.S, Wong, J.Y, Zheng, P, Yang, D, Jedd, G. | Deposit date: | 2019-11-12 | Release date: | 2020-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds. Nat Commun, 11, 2020
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