8SFM
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![BU of 8sfm by Molmil](/molmil-images/mine/8sfm) | Crystal structure of the engineered SsoPox variant IVB10 in alternate state | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | Deposit date: | 2023-04-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
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6WX5
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![BU of 6wx5 by Molmil](/molmil-images/mine/6wx5) | Adducts formed after 3 weeks in the reaction of chlorido[chlorido(2,2'-((2-([2,2':6',2''-Terpyridin]-4'-yloxy)ethyl)azanediyl)bis(ethan-1-ol))platinum(II)] with HEWL | Descriptor: | ACETATE ION, Lysozyme, PLATINUM (II) ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2020-05-09 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mustards-Derived Terpyridine-Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination. Inorg.Chem., 60, 2021
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5AQL
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![BU of 5aql by Molmil](/molmil-images/mine/5aql) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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8T5S
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![BU of 8t5s by Molmil](/molmil-images/mine/8t5s) | Cryo-EM structure of DRH-1 helicase and C-terminal domain bound to dsRNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dicer-related helicase, MAGNESIUM ION, ... | Authors: | Consalvo, C.D, Donelick, H.M, Shen, P.S, Bass, B.L. | Deposit date: | 2023-06-14 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Caenorhabditis elegans Dicer acts with the RIG-I-like helicase DRH-1 and RDE-4 to cleave dsRNA. Elife, 13, 2024
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8SRL
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![BU of 8srl by Molmil](/molmil-images/mine/8srl) | |
7A4F
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![BU of 7a4f by Molmil](/molmil-images/mine/7a4f) | |
7MN2
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![BU of 7mn2 by Molmil](/molmil-images/mine/7mn2) | Rules for designing protein fold switches and their implications for the folding code | Descriptor: | Sb2 | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design and characterization of a protein fold switching network. Nat Commun, 14, 2023
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7A4J
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![BU of 7a4j by Molmil](/molmil-images/mine/7a4j) | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | Authors: | Tetter, S, Hilvert, D. | Deposit date: | 2020-08-19 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
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8GH8
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![BU of 8gh8 by Molmil](/molmil-images/mine/8gh8) | RuvA Holliday junction DNA complex | Descriptor: | DNA (34-MER), Holliday junction branch migration complex subunit RuvA | Authors: | Rish, A.D, Fu, T. | Deposit date: | 2023-03-09 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | RuvA Holliday junction DNA complex To Be Published
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5L1V
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![BU of 5l1v by Molmil](/molmil-images/mine/5l1v) | |
7A4G
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![BU of 7a4g by Molmil](/molmil-images/mine/7a4g) | |
7A4H
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5XIA
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![BU of 5xia by Molmil](/molmil-images/mine/5xia) | STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol | Authors: | Henrick, K, Collyer, C.A, Blow, D.M. | Deposit date: | 1989-07-05 | Release date: | 1990-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively. J.Mol.Biol., 208, 1989
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7A4I
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![BU of 7a4i by Molmil](/molmil-images/mine/7a4i) | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | Authors: | Tetter, S, Hilvert, D. | Deposit date: | 2020-08-19 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.04 Å) | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
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7MU7
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![BU of 7mu7 by Molmil](/molmil-images/mine/7mu7) | Ask1 bound to compound 3 | Descriptor: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2021-05-14 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo To Be Published
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6EIZ
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![BU of 6eiz by Molmil](/molmil-images/mine/6eiz) | A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 | Authors: | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | Deposit date: | 2017-09-19 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules. ACS Synth Biol, 7, 2018
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5II6
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![BU of 5ii6 by Molmil](/molmil-images/mine/5ii6) | Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution | Descriptor: | Zona pellucida sperm-binding protein 2 | Authors: | Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L. | Deposit date: | 2016-03-01 | Release date: | 2017-06-14 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
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6UGB
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![BU of 6ugb by Molmil](/molmil-images/mine/6ugb) | C3 symmetric peptide design number 2, Baby Basil | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-26 | Release date: | 2020-12-02 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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5L7R
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![BU of 5l7r by Molmil](/molmil-images/mine/5l7r) | Crystal structure of BvGH123 | Descriptor: | 1,2-ETHANEDIOL, glycoside hydrolase | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | Deposit date: | 2016-06-03 | Release date: | 2017-03-22 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation. Chem. Commun. (Camb.), 52, 2016
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6QQ3
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![BU of 6qq3 by Molmil](/molmil-images/mine/6qq3) | The room temperature structure of lysozyme via the acoustic levitation of a droplet | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Axford, D.N, Docker, P, Dye, E, Morris, R. | Deposit date: | 2019-02-17 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation. Sci Rep, 9, 2019
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7MVZ
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![BU of 7mvz by Molmil](/molmil-images/mine/7mvz) | Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96-Nup145N complex (Nup188 residues 1-1858; Nic96 residues 240-301; Nup145N residues 640-732) | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP188 | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-05-15 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7MVT
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![BU of 7mvt by Molmil](/molmil-images/mine/7mvt) | Crystal structure of the Chaetomium thermophilum Nup192-Nic96 complex (Nup192 residues 185-1756; Nic96 residues 187-301) | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP192 | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-05-15 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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5L1R
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![BU of 5l1r by Molmil](/molmil-images/mine/5l1r) | X-ray Structure of the Substrate-free Cytochrome P450 PntM | Descriptor: | BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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4WOQ
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![BU of 4woq by Molmil](/molmil-images/mine/4woq) | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric | Descriptor: | 2-KETOBUTYRIC ACID, N-acetylneuraminate lyase | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2014-10-16 | Release date: | 2015-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric to be published
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5DWK
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![BU of 5dwk by Molmil](/molmil-images/mine/5dwk) | Diacylglycerol Kinase solved by multi crystal multi orientation native SAD | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ... | Authors: | Weinert, T, Olieric, V, Finke, A.D, Li, D, Caffrey, M, Wang, M. | Deposit date: | 2015-09-22 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Data-collection strategy for challenging native SAD phasing. Acta Crystallogr D Struct Biol, 72, 2016
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