4V17
 
 | | Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | | Descriptor: | CARBOHYDRATE BINDING MODULE | | Authors: | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-09-25 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7VHE
 | | Crystal structure of the STX2a complexed with RRRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRRA peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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5XTB
 | | Cryo-EM structure of human respiratory complex I matrix arm | | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Gu, J, Wu, M, Yang, M. | | Deposit date: | 2017-06-18 | | Release date: | 2017-08-30 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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7VHF
 | | Crystal structure of the STX2a complexed with RRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRA peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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1KS6
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5XTD
 | | Cryo-EM structure of human respiratory complex I | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | | Authors: | Gu, J, Wu, M, Yang, M. | | Deposit date: | 2017-06-19 | | Release date: | 2017-08-30 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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8QDU
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | Descriptor: | DNA (5'-D(*(FC)P*GP*(FC)P*GP*(FC)P*G)-3') | | Authors: | El-Khoury, R, Cabrero, C, Movilla, S, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M.J. | | Deposit date: | 2023-08-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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5XTE
 | | Cryo-EM structure of human respiratory complex III (cytochrome bc1 complex) | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Gu, J, Wu, M, Yang, M. | | Deposit date: | 2017-06-19 | | Release date: | 2017-08-30 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
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4WEP
 | | Apo YehZ from Escerichia coli | | Descriptor: | Putative osmoprotectant uptake system substrate-binding protein OsmF | | Authors: | Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M. | | Deposit date: | 2014-09-10 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
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4O9R
 | | Human Smoothened Receptor structure in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein | | Authors: | Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-01-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
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3CHQ
 | | Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine | | Descriptor: | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | | Deposit date: | 2008-03-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
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3CHR
 | | Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide | | Descriptor: | 4-amino-N-[4-(benzyloxy)phenyl]butanamide, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | | Deposit date: | 2008-03-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
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8R0S
 | | Structure of reverse transcriptase from Cauliflower Mosaic Virus in complex with RNA/DNA hybrid | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*CP*GP*CP*AP*CP*TP*GP*CP*TP*GP*GP*A)-3'), Enzymatic polyprotein, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*AP*GP*UP*GP*CP*GP*UP*AP*GP*C)-3') | | Authors: | Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M. | | Deposit date: | 2023-10-31 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and biochemical characterization of cauliflower mosaic virus reverse transcriptase.
J.Biol.Chem., 300, 2024
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5Y3T
 | | Crystal structure of hetero-trimeric core of LUBAC: HOIP double-UBA complexed with HOIL-1L UBL and SHARPIN UBL | | Descriptor: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, RanBP-type and C3HC4-type zinc finger-containing protein 1, ... | | Authors: | Tokunaga, A, Fujita, H, Ariyoshi, M, Ohki, I, Tochio, H, Iwai, K, Shirakawa, M. | | Deposit date: | 2017-07-31 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization.
Cell Rep, 23, 2018
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8R86
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8QXZ
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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8QXY
 | | Xylanase from Bacillus circulans mutant E78Q bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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8R85
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8QY3
 | | Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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8QY2
 | | Xylanase from Bacillus circulans mutant E78Q/F125A | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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8QY0
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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8QY1
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
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7PZT
 | | Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase | | Authors: | Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W. | | Deposit date: | 2021-10-13 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
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5Y5N
 | | Crystal structure of human Sirtuin 2 in complex with a selective inhibitor | | Descriptor: | 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | Authors: | Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. | | Deposit date: | 2017-08-09 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site.
Chem Sci, 8, 2017
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7AVB
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