3ZSG
| X-ray structure of p38alpha bound to TAK-715 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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4FIT
| FHIT-APO | Descriptor: | FRAGILE HISTIDINE TRIAD PROTEIN | Authors: | Lima, C.D, Klein, M.G, Hendrickson, W.A. | Deposit date: | 1997-09-25 | Release date: | 1998-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based analysis of catalysis and substrate definition in the HIT protein family. Science, 278, 1997
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5DOU
| Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | de Cima, S, Polo, L.M, Fita, I, Rubio, V. | Deposit date: | 2015-09-11 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis. Sci Rep, 5, 2015
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3WKH
| Crystal structure of cellobiose 2-epimerase in complex with epilactose | Descriptor: | CHLORIDE ION, Cellobiose 2-epimerase, PHOSPHATE ION, ... | Authors: | Fujiwara, T, Saburi, W, Tanaka, I, Yao, M. | Deposit date: | 2013-10-21 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Structural Insights into the Epimerization of beta-1,4-Linked Oligosaccharides Catalyzed by Cellobiose 2-Epimerase, the Sole Enzyme Epimerizing Non-anomeric Hydroxyl Groups of Unmodified Sugars J.Biol.Chem., 289, 2014
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1KKB
| Complex of Escherichia coli Adenylosuccinate Synthetase with IMP and Hadacidin | Descriptor: | Adenylosuccinate Synthetase, HADACIDIN, INOSINIC ACID | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-06 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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2RC1
| Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline | Descriptor: | (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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2RBU
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2RC0
| Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine | Descriptor: | (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ... | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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2RBT
| n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ... | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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1KKF
| Complex of E. coli Adenylosuccinate Synthetase with IMP, Hadacidin, Pyrophosphate, and Mg | Descriptor: | Adenylosuccinate Synthetase, DIPHOSPHATE, HADACIDIN, ... | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-07 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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2A4M
| Structure of Trprs II bound to ATP | Descriptor: | TRYPTOPHAN, Tryptophanyl-tRNA synthetase II | Authors: | Buddha, M.R, Crane, B.R. | Deposit date: | 2005-06-29 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Tryptophanyl-tRNA Synthetase II from Deinococcus radiodurans Bound to ATP and Tryptophan: Insight into subunit cooperativity and domain motions linked to catalysis J.Biol.Chem., 280, 2005
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1KJX
| IMP Complex of E. Coli Adenylosuccinate Synthetase | Descriptor: | Adenylosuccinate Synthetase, INOSINIC ACID | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-05 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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2FJZ
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4N8G
| Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine | Descriptor: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-17 | Release date: | 2013-10-30 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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8BX5
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8BXD
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8BXF
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8BF6
| X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex | Descriptor: | ABC transporter, Azotochelin, FE (III) ION, ... | Authors: | Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J. | Deposit date: | 2022-10-24 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
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2PS7
| Y295F trichodiene synthase | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-05-04 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif. Arch.Biochem.Biophys., 469, 2008
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8BXE
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8BJ9
| X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex. | Descriptor: | ABC transporter, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), ... | Authors: | Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S. | Deposit date: | 2022-11-03 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
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4NGU
| Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala | Descriptor: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-11-02 | Release date: | 2013-12-04 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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2PP9
| Nitrate bound wild type oxidized AfNiR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Murphy, M.E.P, Tocheva, E.I. | Deposit date: | 2007-04-28 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules. Biochemistry, 47, 2008
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6ZU6
| Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 1 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | Deposit date: | 2020-07-21 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis. Chem Sci, 11, 2020
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6ZUB
| Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 2 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | Deposit date: | 2020-07-22 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis. Chem Sci, 11, 2020
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