7UAS
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2JGK
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![BU of 2jgk by Molmil](/molmil-images/mine/2jgk) | Crystal structure of mouse acetylcholinesterase inhibited by aged fenamiphos | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Hornberg, A, Tunemalm, A.-K, Ekstrom, F. | Deposit date: | 2007-02-13 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State. Biochemistry, 46, 2007
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2O56
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![BU of 2o56 by Molmil](/molmil-images/mine/2o56) | Crystal Structure of a Member of the Enolase Superfamily from Salmonella Typhimurium | Descriptor: | MAGNESIUM ION, Putative mandelate racemase | Authors: | Patskovsky, Y, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-12-05 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Putative Enolase from Salmonella Typhimurium Lt2 To be Published
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7BAR
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7LXG
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5LY5
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![BU of 5ly5 by Molmil](/molmil-images/mine/5ly5) | Arcadin-1 from Pyrobaculum calidifontis | Descriptor: | arcadin-1 | Authors: | Izore, T, Lowe, J. | Deposit date: | 2016-09-23 | Release date: | 2017-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crenactin forms actin-like double helical filaments regulated by arcadin-2. Elife, 5, 2016
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3JT3
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![BU of 3jt3 by Molmil](/molmil-images/mine/3jt3) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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7UPI
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![BU of 7upi by Molmil](/molmil-images/mine/7upi) | Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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7DOC
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![BU of 7doc by Molmil](/molmil-images/mine/7doc) | Crystal structure of Zika NS2B-NS3 protease with compound 5 | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... | Authors: | Quek, J.P. | Deposit date: | 2020-12-14 | Release date: | 2021-04-14 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease. Acs Med.Chem.Lett., 12, 2021
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7LDY
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![BU of 7ldy by Molmil](/molmil-images/mine/7ldy) | HIV-1 Protease WT (NL4-3) in Complex with TMC-126 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7DLA
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3AVS
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![BU of 3avs by Molmil](/molmil-images/mine/3avs) | Catalytic fragment of UTX/KDM6A bound with N-oxyalylglycine, and Ni(II) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 6A, ... | Authors: | Sengoku, T, Yokoyama, S. | Deposit date: | 2011-03-07 | Release date: | 2011-10-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for histone H3 Lys 27 demethylation by UTX/KDM6A Genes Dev., 25, 2011
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7LE1
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![BU of 7le1 by Molmil](/molmil-images/mine/7le1) | HIV-1 Protease WT (NL4-3) in Complex with UMass2 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE0
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![BU of 7le0 by Molmil](/molmil-images/mine/7le0) | HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7B9Q
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![BU of 7b9q by Molmil](/molmil-images/mine/7b9q) | The SERp optimized structure of Ribonucleotide reductase from Rhodobacter sphaeroides | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Vitamin B12-dependent ribonucleotide reductase | Authors: | Loderer, C, Feiler, C, Wilk, P, Kabinger, F. | Deposit date: | 2020-12-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | HUG Domain Is Responsible for Active Dimer Stabilization in an NrdJd Ribonucleotide Reductase. Biochemistry, 61, 2022
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3HQU
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![BU of 3hqu by Molmil](/molmil-images/mine/3hqu) | PHD2:Fe:UN9:partial HIF1-alpha substrate complex | Descriptor: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-06-08 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases Structure, 17, 2009
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7LE2
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![BU of 7le2 by Molmil](/molmil-images/mine/7le2) | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LDZ
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![BU of 7ldz by Molmil](/molmil-images/mine/7ldz) | HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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3HR2
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7RDE
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![BU of 7rde by Molmil](/molmil-images/mine/7rde) | Human Triose Phosphate Isomerase Q181P | Descriptor: | BROMIDE ION, CALCIUM ION, Triosephosphate isomerase | Authors: | VanDemark, A.P, Kowalski, J. | Deposit date: | 2021-07-09 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Itavastatin and resveratrol increase triosephosphate isomerase protein in a newly identified variant of TPI deficiency. Dis Model Mech, 15, 2022
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7USQ
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7D6Q
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![BU of 7d6q by Molmil](/molmil-images/mine/7d6q) | Crystal structure of the Stx2a | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, rRNA N-glycosylase | Authors: | Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K. | Deposit date: | 2020-10-01 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin. Commun Biol, 4, 2021
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5M0R
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![BU of 5m0r by Molmil](/molmil-images/mine/5m0r) | Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex | Descriptor: | integrase, tDNA, vDNA, ... | Authors: | Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P. | Deposit date: | 2016-10-05 | Release date: | 2017-01-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | A supramolecular assembly mediates lentiviral DNA integration. Science, 355, 2017
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3HS8
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![BU of 3hs8 by Molmil](/molmil-images/mine/3hs8) | Intersectin 1-peptide-AP2 alpha ear complex | Descriptor: | Adaptor protein complex AP-2, alpha 2 subunit, peptide from Intersectin-1, ... | Authors: | Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V. | Deposit date: | 2009-06-10 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2. Proc.Natl.Acad.Sci.USA, 107, 2010
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5M24
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![BU of 5m24 by Molmil](/molmil-images/mine/5m24) | RARg mutant-S371E | Descriptor: | (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ... | Authors: | Rochel, N, Sirigu, S. | Deposit date: | 2016-10-11 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma. PLoS ONE, 12, 2017
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