7WEX
 
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7WQL
 | | Bovin Beta-lactoglobulin binding with zinc ions | | Descriptor: | Beta-lactoglobulin, ZINC ION | | Authors: | Li, T, Ma, J, Zang, J, Zhao, G, Zhang, T. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
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1HEN
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2WUV
 | | Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile | | Descriptor: | ACETONITRILE, CALCIUM ION, CESIUM ION, ... | | Authors: | Cianci, M, Tomaszewki, B, Helliwell, J.R, Halling, P.J. | | Deposit date: | 2009-10-09 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile.
J.Am.Chem.Soc., 132, 2010
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3OGB
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7WQG
 | | Bovin Alpha-lactalbumin binding with zinc ions | | Descriptor: | Alpha-lactalbumin, ZINC ION | | Authors: | Li, T, Zhang, T. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Zinc binding strength of proteins dominants zinc uptake in Caco-2 cells.
Rsc Adv, 12, 2022
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7WHU
 | | Human Neutrophil Elastase in-complex with Ecotin Peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ... | | Authors: | Shankar, S, Jayaraman, S. | | Deposit date: | 2021-12-31 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022
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2WZ5
 | | L38V SOD1 mutant complexed with L-methionine. | | Descriptor: | COPPER (II) ION, METHIONINE, SULFATE ION, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2009-11-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Discovery of Small Molecule Binding Sites in Cu-Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization.
J.Med.Chem., 53, 2010
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4ES7
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4HSW
 | | Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata | | Descriptor: | Dehaloperoxidase A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Thompson, M.K, Plummer, A, Franzen, S. | | Deposit date: | 2012-10-31 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Role of polarity of the distal pocket in the control of inhibitor binding in dehaloperoxidase-hemoglobin.
Biochemistry, 52, 2013
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3ODD
 | | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Second step of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | | Deposit date: | 2010-08-11 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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4ET8
 | | Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4HTN
 | | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 1.32 x 10e+12 X-ray photons | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A. | | Deposit date: | 2012-11-01 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
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3OGJ
 | | Crystal structure of partial apo (92-227) of cGMP-dependent protein kinase | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, PRKG1 protein | | Authors: | Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C. | | Deposit date: | 2010-08-16 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
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4ETB
 | | lysozyme, room temperature, 200 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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3WZ8
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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4HUA
 | | E. coli thioredoxin variant with (4R)-FluoroPro76 as single proline residue | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. | | Deposit date: | 2012-11-02 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering.
Chembiochem, 14, 2013
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4HUM
 | | MATE transporter NorM-NG in complex with ethidium and monobody | | Descriptor: | ETHIDIUM, Multidrug efflux protein, Protein B | | Authors: | Lu, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3OGP
 | | Crystal Structure of 6s-98S FIV Protease with Darunavir bound | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, DIMETHYL SULFOXIDE, FIV Protease | | Authors: | Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D. | | Deposit date: | 2010-08-17 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
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2YRA
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3OHF
 | | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2010-08-17 | | Release date: | 2011-04-06 | | Last modified: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
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2YRS
 | | Human hemoglobin D Los Angeles: crystal structure | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Poy, C.D, Moreno, F, Bonini-Domingos, C.R, Filgueira de Azevedo Jr, W, Bonilla-Rodriguez, G.O. | | Deposit date: | 2007-04-03 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Hemoglobin D Los Angeles: crystal structure
to be published
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1HEQ
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4EXH
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2YTD
 | | Solution structure of the C2H2 type zinc finger (region 426-458) of human Zinc finger protein 473 | | Descriptor: | ZINC ION, Zinc finger protein 473 | | Authors: | Tomizawa, T, Tochio, N, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the C2H2 type zinc finger (region 426-458) of human Zinc finger protein 473
To be Published
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