7K2R
| Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[LhA-DEETGE] | Descriptor: | B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2I
| Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE] | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAPETGE] | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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4DVE
| Crystal structure at 2.1 A of the S-component for biotin from an ECF-type ABC transporter | Descriptor: | BIOTIN, Biotin transporter BioY, nonyl beta-D-glucopyranoside | Authors: | Berntsson, R.P.-A, ter Beek, J, Majsnerowska, M, Duurkens, R, Puri, P, Poolman, B, Slotboom, D.J. | Deposit date: | 2012-02-23 | Release date: | 2012-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural divergence of paralogous S components from ECF-type ABC transporters. Proc.Natl.Acad.Sci.USA, 109, 2012
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3CKQ
| Crystal Structure of a Mycobacterial Protein | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | Authors: | Marland, Z, Rossjohn, J. | Deposit date: | 2008-03-16 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species. J.Biol.Chem., 283, 2008
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6KSP
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7K98
| Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS) | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, CHLORIDE ION, GLYCEROL, ... | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-28 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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7K9M
| Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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3D26
| Norwalk P domain A-trisaccharide complex | Descriptor: | 58 kd capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Hegde, R, Bu, W. | Deposit date: | 2008-05-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the receptor binding specificity of Norwalk virus. J.Virol., 82, 2008
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6KSS
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8SDC
| Crystal structure of fluoroacetate dehalogenase Daro3835 apoenzyme | Descriptor: | Alpha/beta hydrolase fold protein, CHLORIDE ION | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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1GWX
| MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-03-17 | Release date: | 2000-03-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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7UOM
| Endogenous dihydrolipoamide acetyltransferase (E2) core of pyruvate dehydrogenase complex from bovine kidney | Descriptor: | Acetyltransferase component of pyruvate dehydrogenase complex | Authors: | Liu, S, Xia, X, Zhen, J, Li, Z.H, Zhou, Z.H. | Deposit date: | 2022-04-13 | Release date: | 2022-11-30 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures and comparison of endogenous 2-oxoglutarate and pyruvate dehydrogenase complexes from bovine kidney. Cell Discov, 8, 2022
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3BR9
| Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2007-12-21 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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3BSC
| Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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3I0G
| Crystal structure of GTB C80S/C196S + DA + UDP-Gal | Descriptor: | ABO glycosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | Deposit date: | 2009-06-25 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding J.Mol.Biol., 402, 2010
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8W6P
| Crystal structure of dimeric murine SMPDL3A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | Authors: | Zhang, C, Liu, P, Fan, S, Hou, Y. | Deposit date: | 2023-08-29 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing. Immunity, 56, 2023
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8W6R
| murine SMPDL3A bound to sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | Authors: | Zhang, C, Liu, P, Fan, S. | Deposit date: | 2023-08-29 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing. Immunity, 56, 2023
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7S4B
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3I0E
| Crystal structure of GTB C80S/C196S + H-antigen | Descriptor: | ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | Deposit date: | 2009-06-25 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding J.Mol.Biol., 402, 2010
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3I0L
| Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal | Descriptor: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside, ... | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | Deposit date: | 2009-06-25 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding J.Mol.Biol., 402, 2010
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4DBG
| Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative | Descriptor: | RING finger protein 31, RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Yagi, H, Hiromoto, T, Mizushima, T, Kurimoto, E, Kato, K. | Deposit date: | 2012-01-15 | Release date: | 2012-04-04 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex Embo Rep., 13, 2012
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3BY0
| Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin | Descriptor: | 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | Authors: | Clifton, M.C, Pizzaro, J.C, Strong, R.K. | Deposit date: | 2008-01-15 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.572 Å) | Cite: | The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport. J.Am.Chem.Soc., 130, 2008
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1LBY
| Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Manganese ions, Fructose-6-Phosphate, and Phosphate ion | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B. | Deposit date: | 2002-04-04 | Release date: | 2002-05-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop. J.Biol.Chem., 277, 2002
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1IDU
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1LNE
| A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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