6MCA
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![BU of 6mca by Molmil](/molmil-images/mine/6mca) | Structure of Legionella Effector AnkH | Descriptor: | Ankyrin repeat domain protein, GLYCEROL, L(+)-TARTARIC ACID | Authors: | Cygler, M, Chung, I.Y.W. | Deposit date: | 2018-08-30 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | Interaction of the Ankyrin H Core Effector ofLegionellawith the Host LARP7 Component of the 7SK snRNP Complex. Mbio, 10, 2019
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7TDH
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![BU of 7tdh by Molmil](/molmil-images/mine/7tdh) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in open conformation | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | Authors: | Nayak, A.R, Samso, M. | Deposit date: | 2021-12-31 | Release date: | 2022-03-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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6MCR
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![BU of 6mcr by Molmil](/molmil-images/mine/6mcr) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease | Authors: | Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2018-09-02 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants. Antimicrob.Agents Chemother., 63, 2019
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6MCP
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![BU of 6mcp by Molmil](/molmil-images/mine/6mcp) | L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ... | Authors: | Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M. | Deposit date: | 2018-09-01 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation. Proc.Natl.Acad.Sci.USA, 117, 2020
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7TDI
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![BU of 7tdi by Molmil](/molmil-images/mine/7tdi) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 2 (Dataset-A) | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | Authors: | Nayak, A.R, Samso, M. | Deposit date: | 2021-12-31 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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6UTT
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![BU of 6utt by Molmil](/molmil-images/mine/6utt) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with calcium | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | Deposit date: | 2019-10-29 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE. Sci Rep, 10, 2020
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7SMS
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![BU of 7sms by Molmil](/molmil-images/mine/7sms) | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | Deposit date: | 2021-10-26 | Release date: | 2022-03-09 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare. Nat.Struct.Mol.Biol., 29, 2022
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6MDM
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![BU of 6mdm by Molmil](/molmil-images/mine/6mdm) | The 20S supercomplex engaging the SNAP-25 N-terminus (class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-soluble NSF attachment protein, ... | Authors: | White, K.I, Zhao, M, Brunger, A.T. | Deposit date: | 2018-09-04 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF. Elife, 7, 2018
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7SUO
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8POA
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![BU of 8poa by Molmil](/molmil-images/mine/8poa) | Structure of Coxsackievirus A16 (G-10) 2A protease | Descriptor: | GLYCEROL, Protease 2A, ZINC ION | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-07-04 | Release date: | 2023-08-02 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of EV A71 2A protease - to be published To Be Published
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6EY2
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![BU of 6ey2 by Molmil](/molmil-images/mine/6ey2) | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | Deposit date: | 2017-11-10 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs. FEBS J., 285, 2018
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2LYR
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![BU of 2lyr by Molmil](/molmil-images/mine/2lyr) | NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 259K (-14 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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6VHA
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![BU of 6vha by Molmil](/molmil-images/mine/6vha) | Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | Descriptor: | Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-09 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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6MGA
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7MZX
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6F71
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1WRD
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![BU of 1wrd by Molmil](/molmil-images/mine/1wrd) | Crystal structure of Tom1 GAT domain in complex with ubiquitin | Descriptor: | Target of Myb protein 1, Ubiquitin | Authors: | Akutsu, M, Kawasaki, M, Katoh, Y, Shiba, T, Yamaguchi, Y, Kato, R, Kato, K, Nakayama, K, Wakatsuki, S. | Deposit date: | 2004-10-14 | Release date: | 2005-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for recognition of ubiquitinated cargo by Tom1-GAT domain. Febs Lett., 579, 2005
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5O79
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![BU of 5o79 by Molmil](/molmil-images/mine/5o79) | Klebsiella pneumoniae OmpK36 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36 | Authors: | van den berg, B, Pathania, M. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. Acs Infect Dis., 4, 2018
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6M9J
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![BU of 6m9j by Molmil](/molmil-images/mine/6m9j) | Racemic-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | Descriptor: | Ice nucleation protein | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | Deposit date: | 2018-08-23 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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1WS2
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![BU of 1ws2 by Molmil](/molmil-images/mine/1ws2) | urate oxidase from aspergillus flavus complexed with 5,6-diaminouracil | Descriptor: | 5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-10-29 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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1WU1
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7NKV
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6V21
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7T4E
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