1HF4
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![BU of 1hf4 by Molmil](/molmil-images/mine/1hf4) | STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS | Descriptor: | LYSOZYME, NITRATE ION, SODIUM ION | Authors: | Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A. | Deposit date: | 2000-11-29 | Release date: | 2001-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals Acta Crystallogr.,Sect.D, 57, 2001
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6K7M
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![BU of 6k7m by Molmil](/molmil-images/mine/6k7m) | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E2Pi-PL state) | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2019-06-07 | Release date: | 2019-08-28 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase. Science, 365, 2019
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5E41
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![BU of 5e41 by Molmil](/molmil-images/mine/5e41) | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentenyl)-2'-deoxyuridine-triphosphate | Descriptor: | 2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Hottin, A, Betz, K, Marx, A. | Deposit date: | 2015-10-05 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for the KlenTaq DNA Polymerase Catalysed Incorporation of Alkene- versus Alkyne-Modified Nucleotides. Chemistry, 23, 2017
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5WFV
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![BU of 5wfv by Molmil](/molmil-images/mine/5wfv) | Kelch domain of human Keap1 bound to Nrf2 ETGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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5WHO
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![BU of 5who by Molmil](/molmil-images/mine/5who) | |
6HPE
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![BU of 6hpe by Molmil](/molmil-images/mine/6hpe) | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2018-09-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site. Protein Sci., 28, 2019
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7K88
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![BU of 7k88 by Molmil](/molmil-images/mine/7k88) | Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | Authors: | Kiser, P.D. | Deposit date: | 2020-09-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
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7K89
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1N5Q
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![BU of 1n5q by Molmil](/molmil-images/mine/1n5q) | Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with dehydrated Sancycline | Descriptor: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE, ActaVA-Orf6 monooxygenase, HEXAETHYLENE GLYCOL | Authors: | Sciara, G, Kendrew, S.G, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B. | Deposit date: | 2002-11-07 | Release date: | 2003-01-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis Embo J., 22, 2003
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6HTV
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![BU of 6htv by Molmil](/molmil-images/mine/6htv) | Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M in complex with isomaltotetraose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Claverie, M, Cioci, G, Remaud-Simeon, M, Moulis, C, Lippens, G. | Deposit date: | 2018-10-04 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Futile Encounter Engineering of the DSR-M Dextransucrase Modifies the Resulting Polymer Length. Biochemistry, 58, 2019
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7CRL
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![BU of 7crl by Molmil](/molmil-images/mine/7crl) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 50 ps after light activation | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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5DGY
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![BU of 5dgy by Molmil](/molmil-images/mine/5dgy) | Crystal structure of rhodopsin bound to visual arrestin | Descriptor: | Endolysin,Rhodopsin,S-arrestin | Authors: | Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E. | Deposit date: | 2015-08-28 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (7.7 Å) | Cite: | X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex. Sci Data, 3, 2016
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7CRY
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![BU of 7cry by Molmil](/molmil-images/mine/7cry) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (6.49 mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRK
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![BU of 7crk by Molmil](/molmil-images/mine/7crk) | 2ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRX
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![BU of 7crx by Molmil](/molmil-images/mine/7crx) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (2.63mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRT
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![BU of 7crt by Molmil](/molmil-images/mine/7crt) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.17mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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6RMC
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![BU of 6rmc by Molmil](/molmil-images/mine/6rmc) | 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, Schmitt, A, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 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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5WPP
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![BU of 5wpp by Molmil](/molmil-images/mine/5wpp) | Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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7CRS
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![BU of 7crs by Molmil](/molmil-images/mine/7crs) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.90mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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3HNV
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![BU of 3hnv by Molmil](/molmil-images/mine/3hnv) | CS-35 Fab Complex with Oligoarabinofuranosyl Tetrasaccharide (branch part of Hexasaccharide) | Descriptor: | CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-3)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside | Authors: | Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into antibody recognition of mycobacterial polysaccharides. J.Mol.Biol., 392, 2009
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5DQF
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![BU of 5dqf by Molmil](/molmil-images/mine/5dqf) | Horse Serum Albumin (ESA) in complex with Cetirizine | Descriptor: | (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ... | Authors: | Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-09-14 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site. Mol.Immunol., 71, 2016
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7K0H
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![BU of 7k0h by Molmil](/molmil-images/mine/7k0h) | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | Descriptor: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0E
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![BU of 7k0e by Molmil](/molmil-images/mine/7k0e) | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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5TL9
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![BU of 5tl9 by Molmil](/molmil-images/mine/5tl9) | crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-10-10 | Release date: | 2017-03-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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6S3M
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![BU of 6s3m by Molmil](/molmil-images/mine/6s3m) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-AlF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*G)-3'), MAGNESIUM ION, ... | Authors: | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | Deposit date: | 2019-06-25 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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