7DLK
 
 | | Crystal Structure of veratryl alcohol bound Dye Decolorizing peroxidase from Bacillus subtilis | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | | Deposit date: | 2020-11-27 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol.
Int.J.Biol.Macromol., 193, 2021
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6V3M
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840) | | Descriptor: | 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-09 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Analysis of Burkholderia pseudomallei IspF in complex with sulfapyridine, sulfamonomethoxine, ethoxzolamide and acetazolamide.
Acta Crystallogr.,Sect.F, 81, 2025
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6V6Z
 | | Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DITHIANE DIOL, FORMIC ACID, ... | | Authors: | Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W. | | Deposit date: | 2019-12-06 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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5FWN
 | | Imine Reductase from Amycolatopsis orientalis. Closed form in in complex with (R)- Methyltetrahydroisoquinoline | | Descriptor: | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline, IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | | Deposit date: | 2016-02-18 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Stereoselectivity and Structural Characterization of an Imine Reductase (Ired) from Amycolatopsis Orientalis
Acs Catalysis, 6, 2016
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1BN8
 | | BACILLUS SUBTILIS PECTATE LYASE | | Descriptor: | CALCIUM ION, PROTEIN (PECTATE LYASE) | | Authors: | Pickersgill, R, Harris, G, Jenkins, J. | | Deposit date: | 1998-07-31 | | Release date: | 1998-08-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Bacillus subtilis pectate lyase in complex with calcium.
Nat.Struct.Biol., 1, 1994
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5TR3
 | | 2.5 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2.5 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD.
To Be Published
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6CHT
 | | HNF4alpha in complex with the corepressor EBP1 fragment | | Descriptor: | Hepatocyte nuclear factor 4-alpha, LAURIC ACID, Proliferation-associated protein 2G4 | | Authors: | Chi, Y.I, Singh, P, Lee, I.K. | | Deposit date: | 2018-02-22 | | Release date: | 2019-02-27 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3.174 Å) | | Cite: | ErbB3-binding protein 1 (EBP1) represses HNF4 alpha-mediated transcription and insulin secretion in pancreatic beta-cells.
J.Biol.Chem., 294, 2019
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5TT0
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5XSB
 | | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-13 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.918 Å) | | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YUL
 | | Native Structure of hSOD1 in P6322 space group | | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | | Authors: | Manjula, R, Padmanabhan, B. | | Deposit date: | 2017-11-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation
FEBS Lett., 592, 2018
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6MYK
 | | Pleurotus ostreatus OstreolysinA mutant E69A with Bis-Tris | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ostreolysin A6, ... | | Authors: | Tomchick, D.R, Radhakrishnan, A, Endapally, S. | | Deposit date: | 2018-11-01 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes.
Cell, 176, 2019
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5V3F
 | | Co-crystal structure of the fluorogenic RNA Mango | | Descriptor: | 4-{[(2S)-3-{2,16-dioxo-20-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | | Deposit date: | 2017-03-07 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for high-affinity fluorophore binding and activation by RNA Mango.
Nat. Chem. Biol., 13, 2017
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5UXH
 | | Structure of Human POFUT1 in complex with GDP-fucose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE | | Authors: | Xu, X, McMillan, B, Blacklow, S.C. | | Deposit date: | 2017-02-22 | | Release date: | 2017-04-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations.
Glycobiology, 27, 2017
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4PVM
 | | Neutron structure of human transthyretin (TTR) at room temperature to 2.0A resolution (Laue) | | Descriptor: | Transthyretin | | Authors: | Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2014-03-18 | | Release date: | 2014-11-12 | | Last modified: | 2024-03-20 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein
IUCrJ, 1, 2014
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4EIV
 | | 1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Deoxyribose-phosphate aldolase | | Authors: | Halavaty, A.S, Ruan, J, Minasov, G, Shuvalova, L, Ueno, A, Igarashi, M, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-05 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural and Functional Divergence of the Aldolase Fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
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6GA1
 | | Bacteriorhodopsin, dark state, cell 1 | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6G0C
 | | Crystal structure of SdeA catalytic core | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitinating/deubiquitinating enzyme SdeA | | Authors: | Kalayil, S, Bhogaraju, S, Basquin, J, Dikic, I. | | Deposit date: | 2018-03-17 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Insights into catalysis and function of phosphoribosyl-linked serine ubiquitination.
Nature, 557, 2018
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5U5Y
 | | CcP gateless cavity | | Descriptor: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U60
 | | CcP gateless cavity | | Descriptor: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Z7Y
 | | Crystal structure of Striga hermonthica HTL7 (ShHTL7) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ... | | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2018-01-30 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
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3JA1
 | | Activation of GTP Hydrolysis in mRNA-tRNA Translocation by Elongation Factor G | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Li, W, Liu, Z, Koripella, R.K, Langlois, R, Sanyal, S, Frank, J. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Activation of GTP hydrolysis in mRNA-tRNA translocation by elongation factor G.
Sci Adv, 1, 2015
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5TRG
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide DPLG-2 | | Descriptor: | N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide, Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, R.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-26 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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5UG2
 | | CcP gateless cavity | | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | | Deposit date: | 2017-01-06 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3KB6
 | | Crystal structure of D-Lactate dehydrogenase from aquifex aeolicus complexed with NAD and Lactic acid | | Descriptor: | D-lactate dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Ellis, M.J, Bessho, Y, Kuramitsu, S, Yokoyama, S, Hasnain, S.S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-10-20 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD(+) and lactic acid (or pyruvate).
Acta Crystallogr.,Sect.F, 65, 2009
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6MYJ
 | | Pleurotus ostreatus OstreolysinA plus sphingomyelin | | Descriptor: | 1,2-ETHANEDIOL, N-[(2S)-1-hydroxypropan-2-yl]butanamide, Ostreolysin A6, ... | | Authors: | Tomchick, D.R, Radhakrishnan, A, Endapally, S. | | Deposit date: | 2018-11-01 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes.
Cell, 176, 2019
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