5NRD
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![BU of 5nrd by Molmil](/molmil-images/mine/5nrd) | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-2 | Descriptor: | COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | Deposit date: | 2017-04-22 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NR9
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![BU of 5nr9 by Molmil](/molmil-images/mine/5nr9) | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (alpha-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - Unliganded alpha-3GalT | Descriptor: | GLYCEROL, N-acetyllactosaminide alpha-1,3-galactosyltransferase | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | Deposit date: | 2017-04-22 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NF8
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![BU of 5nf8 by Molmil](/molmil-images/mine/5nf8) | Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation | Descriptor: | Respiratory supercomplex factor 1, mitochondrial | Authors: | Zhou, S, Pettersson, P, Sjoholm, J, Sjostrand, D, Hogbom, M, Brzezinski, P, Maler, L, Adelroth, P. | Deposit date: | 2017-03-13 | Release date: | 2018-02-28 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5N5C
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![BU of 5n5c by Molmil](/molmil-images/mine/5n5c) | NMR solution structure of the TSL2 RNA hairpin | Descriptor: | RNA (19-MER) | Authors: | Garcia-Lopez, A, Wacker, A, Tessaro, F, Jonker, H.R.A, Richter, C, Comte, A, Berntenis, N, Schmucki, R, Hatje, K, Sciarra, D, Konieczny, P, Fournet, G, Faustino, I, Orozco, M, Artero, R, Goekjian, P, Metzger, F, Ebeling, M, Joseph, B, Schwalbe, H, Scapozza, L. | Deposit date: | 2017-02-13 | Release date: | 2018-03-14 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes. Nat Commun, 9, 2018
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5O8V
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5O90
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![BU of 5o90 by Molmil](/molmil-images/mine/5o90) | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Nichols, C.E, De Nicola, G.F, Thapa, D. | Deposit date: | 2017-06-15 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
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5OBO
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![BU of 5obo by Molmil](/molmil-images/mine/5obo) | Crystal structure of nitrite bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii | Descriptor: | COPPER (II) ION, GLYCEROL, HEME C, ... | Authors: | Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-28 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases To be published
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5OD9
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![BU of 5od9 by Molmil](/molmil-images/mine/5od9) | Structure of the engineered metalloesterase MID1sc9 | Descriptor: | (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Studer, S, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2017-07-05 | Release date: | 2018-12-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides. Science, 362, 2018
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5OET
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![BU of 5oet by Molmil](/molmil-images/mine/5oet) | The structure of a glutathione synthetase like-effector (GSS30) from Globodera pallida in apoform. | Descriptor: | Glutathione synthetase-like effector 30 (Gpa-GSS30-apo), MAGNESIUM ION | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene. PLoS Genet., 14, 2018
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5OF6
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![BU of 5of6 by Molmil](/molmil-images/mine/5of6) | Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OFG
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![BU of 5ofg by Molmil](/molmil-images/mine/5ofg) | Cu nitrite reductase serial data at varying temperatures RT 0.06MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OLA
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![BU of 5ola by Molmil](/molmil-images/mine/5ola) | Structure of mitochondrial transcription elongation complex in complex with elongation factor TEFM | Descriptor: | DNA (30-MER), DNA (5'-D(P*AP*TP*GP*GP*TP*GP*TP*AP*AP*CP*GP*CP*CP*AP*GP*AP*CP*GP*AP*AP*C)-3'), DNA-directed RNA polymerase, ... | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.904 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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5ODB
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![BU of 5odb by Molmil](/molmil-images/mine/5odb) | Crystal structure of the RA-associated mAb D10 (chimeric Fab fragment) | Descriptor: | D10 Fab fragment - heavy chain, D10 Fab fragment - light chain, GLYCEROL, ... | Authors: | Dobritzsch, D, Ge, C, Holmdahl, R, Amara, K, Malmstrom, V. | Deposit date: | 2017-07-05 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies. Arthritis Rheumatol, 71, 2019
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5OL8
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![BU of 5ol8 by Molmil](/molmil-images/mine/5ol8) | Structure of human mitochondrial transcription elongation factor (TEFM) C-terminal domain | Descriptor: | GLYCEROL, Transcription elongation factor, mitochondrial | Authors: | Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D. | Deposit date: | 2017-07-27 | Release date: | 2017-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Transcription Anti-termination in Human Mitochondria. Cell, 171, 2017
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5OG2
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![BU of 5og2 by Molmil](/molmil-images/mine/5og2) | Cu nitrite reductase serial data at varying temperatures RT 0.09MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5SML
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![BU of 5sml by Molmil](/molmil-images/mine/5sml) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045) | Descriptor: | 3C-like proteinase, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5SMN
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![BU of 5smn by Molmil](/molmil-images/mine/5smn) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1365651030 (Mpro-IBM0078) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide | Authors: | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5SMM
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![BU of 5smm by Molmil](/molmil-images/mine/5smm) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1633315555 (Mpro-IBM0058) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide | Authors: | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5TDI
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![BU of 5tdi by Molmil](/molmil-images/mine/5tdi) | Crystal structure of Cathepsin K with a covalently-linked inhibitor at 1.4 Angstrom resolution. | Descriptor: | 4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-L-leucinamide, Cathepsin K | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | Deposit date: | 2016-09-19 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib. Biochem. J., 474, 2017
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5THL
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![BU of 5thl by Molmil](/molmil-images/mine/5thl) | |
5THH
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![BU of 5thh by Molmil](/molmil-images/mine/5thh) | |
5PZV
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![BU of 5pzv by Molmil](/molmil-images/mine/5pzv) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromopyridin-2-yl)-3-(4-chlorophenyl)sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-11 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(4-bromopyridin-2-yl)-3-(4-chlorophenyl)sulfonylurea To be published
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5Q0A
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![BU of 5q0a by Molmil](/molmil-images/mine/5q0a) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-11 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea To be published
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5TID
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![BU of 5tid by Molmil](/molmil-images/mine/5tid) | X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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5OSY
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![BU of 5osy by Molmil](/molmil-images/mine/5osy) | Human Decapping Scavenger enzyme (hDcpS) in complex with m7G(5'S)ppSp(5'S)G mRNA 5' cap analog | Descriptor: | GLYCEROL, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid, m7GpppX diphosphatase | Authors: | Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2017-08-18 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | 5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes. J. Am. Chem. Soc., 140, 2018
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