4ABI
| Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | Deposit date: | 2011-12-08 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations Angew.Chem.Int.Ed.Engl., 51, 2012
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7XVV
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2ZQJ
| Substrate-Free Form of Cytochrome P450BSbeta | Descriptor: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | Deposit date: | 2008-08-11 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis. J.Biol.Inorg.Chem., 2010
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7XVW
| Structure of neuraminidase from influenza B-like viruses derived from spiny eel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | Authors: | Chai, Y, Gao, F. | Deposit date: | 2022-05-25 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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4ABJ
| Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | Deposit date: | 2011-12-08 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations Angew.Chem.Int.Ed.Engl., 51, 2012
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2ZSY
| Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [750 min] | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-09-18 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin. Proc.Natl.Acad.Sci.USA, 106, 2009
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3ZZX
| Crystallographic structure of thioredoxin from Litopenaeus vannamei | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ACETATE ION, GLYCEROL, ... | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | Deposit date: | 2011-09-05 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei Acta Crystallogr.,Sect.F, 69, 2013
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2Z7U
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4KND
| Thioredoxin from Anaeromyxobacter dehalogenans. | Descriptor: | Thioredoxin | Authors: | Osipiuk, J, Hatzos-Skintges, C, Clancy, S, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2013-05-09 | Release date: | 2013-05-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Thioredoxin from Anaeromyxobacter dehalogenans. To be Published
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7Y98
| Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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1FIZ
| THREE DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM BOAR SPERMATOZOA | Descriptor: | BETA-ACROSIN HEAVY CHAIN, BETA-ACROSIN LIGHT CHAIN, P-AMINO BENZAMIDINE, ... | Authors: | Tranter, R, Read, J.A, Jones, R, Brady, R.L. | Deposit date: | 2000-08-07 | Release date: | 2000-11-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin. Structure Fold.Des., 8, 2000
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2ZE1
| X-ray structure of Bace-1 in complex with compound 6g | Descriptor: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 | Authors: | Chopra, R, Olland, A. | Deposit date: | 2007-12-05 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
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2ZEC
| Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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2ZFT
| Exploring trypsin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-11 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
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7Y5R
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7Y6E
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7Y8S
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3QRS
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4FBN
| Insights into structural integration of the PLCgamma regulatory region and mechanism of autoinhibition and activation based on key roles of SH2 domains | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | Authors: | Cole, A.R, Mas-Droux, C.P, Bunney, T.D, Katan, M. | Deposit date: | 2012-05-23 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation. Structure, 20, 2012
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1FLW
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7Y8I
| Crystal structure of sDscam FNIII3 domain, isoform alpha7 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Dscam, ... | Authors: | Chen, Q, Yu, Y, Cheng, J. | Deposit date: | 2022-06-24 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the self-recognition of sDSCAM in Chelicerata. Nat Commun, 14, 2023
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7YD9
| Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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4K1H
| Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2013-04-05 | Release date: | 2013-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding Sci Rep, 3, 2013
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7YDA
| Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.557 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YDB
| Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-04 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.472 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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