5FKC
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5JD3
| Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | Authors: | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | To be published To Be Published
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1JIF
| Crystal structure of bleomycin-binding protein from bleomycin-producing Streptomyces verticillus complexed with copper(II)-bleomycin | Descriptor: | BLEOMYCIN A2, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Sugiyama, M, Kumagai, T, Hayashida, M, Maruyama, M, Matoba, Y. | Deposit date: | 2001-07-02 | Release date: | 2002-02-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6-A crystal structure of the copper(II)-bound bleomycin complexed with the bleomycin-binding protein from bleomycin-producing Streptomyces verticillus. J.Biol.Chem., 277, 2002
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5JD4
| Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Stogios, P.J, Xu, X, Alcaide, M, Yim, V, Cui, H, Martinez-Martinez, M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain To Be Published
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6DFN
| Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-15 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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5JMF
| Heparinase III-BT4657 gene product | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ... | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
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6DWF
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4L9X
| Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | ACETATE ION, Triazine hydrolase | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-06-18 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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7LER
| Netrin-1 filament assembly | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin-1, ... | Authors: | McDougall, M, Gupta, M, Stetefeld, J. | Deposit date: | 2021-01-14 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (5.99 Å) | Cite: | The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation. Nat Commun, 14, 2023
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3MLE
| Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | Descriptor: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-16 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members. Febs J., 279, 2012
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5WQC
| Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA determined by the synchrotron light source at SPring-8. | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ... | Authors: | Suno, R, Hirata, K, Yamashita, K, Tsujimoto, H, Sasanuma, M, Horita, S, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T. | Deposit date: | 2016-11-25 | Release date: | 2017-11-29 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA Structure, 26, 2018
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7CJI
| Photosystem II structure in the S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Li, H, Shen, J.-R, Suga, M. | Deposit date: | 2020-07-11 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography. Iucrj, 8, 2021
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3N4Q
| Human cytomegalovirus terminase nuclease domain, Mn soaked | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, TERMINASE SUBUNIT UL89 PROTEIN | Authors: | Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M. | Deposit date: | 2010-05-22 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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7CJJ
| Photosystem II structure in the S2 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Li, H, Shen, J.-R, Suga, M. | Deposit date: | 2020-07-11 | Release date: | 2021-04-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography. Iucrj, 8, 2021
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7COU
| Structure of cyanobacterial photosystem II in the dark S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Li, H, Shen, J.-R, Suga, M. | Deposit date: | 2020-08-05 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography. Iucrj, 8, 2021
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3N9R
| Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor | Descriptor: | 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate, CHLORIDE ION, Fructose-bisphosphate aldolase, ... | Authors: | Coincon, M, Sygusch, S. | Deposit date: | 2010-05-31 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases. J.Med.Chem., 53, 2010
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3N9V
| Crystal Structure of INPP5B | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-31 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases Structure, 22, 2014
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3MEL
| Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ... | Authors: | Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Northeast Structural Genomics Consortium Target EfR150 To be Published
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7M7W
| Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | Deposit date: | 2021-03-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
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7E3D
| Crystal structure of human acetylcholinesterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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7MDN
| Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-05 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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7E3H
| Crystal structure of human acetylcholinesterase in complex with donepezil | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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4LH8
| Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | Triazine hydrolase, ZINC ION | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-07-01 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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1IQ5
| Calmodulin/nematode CA2+/Calmodulin dependent kinase kinase fragment | Descriptor: | CA2+/CALMODULIN DEPENDENT KINASE KINASE, CALCIUM ION, CALMODULIN | Authors: | Kurokawa, H, Osawa, M, Kurihara, H, Katayama, N, Tokumitsu, H, Swindells, M.B, Kainosho, M, Ikura, M. | Deposit date: | 2001-06-14 | Release date: | 2001-09-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target-induced conformational adaptation of calmodulin revealed by the crystal structure of a complex with nematode Ca(2+)/calmodulin-dependent kinase kinase peptide J.Mol.Biol., 312, 2001
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3MW1
| p38 kinase Crystal structure in complex with small molecule inhibitor | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2010-05-05 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase J.Med.Chem., 54, 2011
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