7YEB
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![BU of 7yeb by Molmil](/molmil-images/mine/7yeb) | TR-SFX MmCPDII-DNA complex: 3.35 ns snapshot. Includes 3.35 ns, dark, and extrapolated structure factors | Descriptor: | CPD photolesion containing DNA, CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photolyase, ... | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2022-07-05 | Release date: | 2023-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
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7YEI
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![BU of 7yei by Molmil](/molmil-images/mine/7yei) | TR-SFX MmCPDII-DNA complex: 10 ns time-point collected in SACLA. Includes 10 ns, dark, and extrapolated structure factors | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2022-07-05 | Release date: | 2023-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
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5B83
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![BU of 5b83 by Molmil](/molmil-images/mine/5b83) | |
6R4C
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![BU of 6r4c by Molmil](/molmil-images/mine/6r4c) | Aurora-A in complex with shape-diverse fragment 57 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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1RBD
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![BU of 1rbd by Molmil](/molmil-images/mine/1rbd) | |
7JPE
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![BU of 7jpe by Molmil](/molmil-images/mine/7jpe) | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography | Descriptor: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-08-07 | Release date: | 2020-08-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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6TBZ
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![BU of 6tbz by Molmil](/molmil-images/mine/6tbz) | |
6TCE
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![BU of 6tce by Molmil](/molmil-images/mine/6tce) | |
4YWA
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![BU of 4ywa by Molmil](/molmil-images/mine/4ywa) | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.192 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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5D6C
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![BU of 5d6c by Molmil](/molmil-images/mine/5d6c) | Structure of 4497 Fab bound to synthetic wall teichoic acid fragment | Descriptor: | 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ... | Authors: | Lupardus, P.J, Fong, R. | Deposit date: | 2015-08-12 | Release date: | 2015-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Novel antibody-antibiotic conjugate eliminates intracellular S. aureus. Nature, 527, 2015
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6TNP
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![BU of 6tnp by Molmil](/molmil-images/mine/6tnp) | Crystal structure of the ScFv-5E5 in complex with a Tn glycopeptide | Descriptor: | (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide, Heavy chain of our ScFv-5E5, Light chain of our ScFv-5E5 | Authors: | Macias-Leon, J, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2019-12-09 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of an unprecedented lectin-like antitumoral anti-MUC1 antibody. Chem.Commun.(Camb.), 56, 2020
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5D2A
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![BU of 5d2a by Molmil](/molmil-images/mine/5d2a) | Bifunctional dendrimers | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L. | Deposit date: | 2015-08-05 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers. Chem Sci, 7, 2016
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1TED
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![BU of 1ted by Molmil](/molmil-images/mine/1ted) | |
6RMB
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![BU of 6rmb by Molmil](/molmil-images/mine/6rmb) | Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ... | Authors: | Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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1ASO
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![BU of 1aso by Molmil](/molmil-images/mine/1aso) | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ... | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms. J.Mol.Biol., 230, 1993
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1V0F
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![BU of 1v0f by Molmil](/molmil-images/mine/1v0f) | Endosialidase of Bacteriophage K1F in complex with oligomeric alpha-2,8-sialic acid | Descriptor: | ENDO-ALPHA-SIALIDASE, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid, ... | Authors: | Stummeyer, K, Dickmanns, A, Muehlenhoff, M, Gerady-Schahn, R, Ficner, R. | Deposit date: | 2004-03-28 | Release date: | 2004-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of the Polysialic Acid-Degrading Endosialidase of Bacteriophage K1F Nat.Struct.Mol.Biol., 12, 2005
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5CXQ
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![BU of 5cxq by Molmil](/molmil-images/mine/5cxq) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in APO form | Descriptor: | Purine nucleoside phosphorylase | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2015-07-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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3X3B
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![BU of 3x3b by Molmil](/molmil-images/mine/3x3b) | Crystal structure of the light-driven sodium pump KR2 in acidic state | Descriptor: | DI(HYDROXYETHYL)ETHER, OLEIC ACID, RETINAL, ... | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | Deposit date: | 2015-01-18 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump Nature, 521, 2015
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8AGU
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![BU of 8agu by Molmil](/molmil-images/mine/8agu) | Yeast RQC complex in state E | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | Deposit date: | 2022-07-20 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control. Mol.Cell, 83, 2023
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6R49
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![BU of 6r49 by Molmil](/molmil-images/mine/6r49) | Aurora-A in complex with shape-diverse fragment 39 | Descriptor: | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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8AAF
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![BU of 8aaf by Molmil](/molmil-images/mine/8aaf) | Yeast RQC complex in state G | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | Deposit date: | 2022-07-01 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control. Mol.Cell, 83, 2023
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7TYQ
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![BU of 7tyq by Molmil](/molmil-images/mine/7tyq) | TEAD2 bound to Compound 1 | Descriptor: | Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYU
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![BU of 7tyu by Molmil](/molmil-images/mine/7tyu) | TEAD2 bound to Compound 2 | Descriptor: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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3X3C
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![BU of 3x3c by Molmil](/molmil-images/mine/3x3c) | Crystal structure of the light-driven sodium pump KR2 in neutral state | Descriptor: | OLEIC ACID, RETINAL, Sodium pumping rhodopsin | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | Deposit date: | 2015-01-18 | Release date: | 2015-04-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump Nature, 521, 2015
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7TYP
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![BU of 7typ by Molmil](/molmil-images/mine/7typ) | TEAD2 bound to GNE-7883 | Descriptor: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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