4FDH
| Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ... | Authors: | Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. | Deposit date: | 2012-05-28 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into aldosterone synthase substrate specificity and targeted inhibition. Mol.Endocrinol., 27, 2013
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3PTL
| Crystal structure of proteinase K inhibited by a lactoferrin nonapeptide, Lys-Gly-Glu-Ala-Asp-Ala-Leu-Ser-Leu-Asp at 1.3 A resolution. | Descriptor: | 10-mer peptide from Lactoferrin, Proteinase K | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-12-03 | Release date: | 2010-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of proteinase K inhibited by a lactoferrin nonapeptide, Lys-Gly-Glu-Ala-Asp-Ala-Leu-Ser-Leu-Asp at 1.3 A resolution. TO BE PUBLISHED
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4FEI
| Hsp17.7 from Deinococcus radiodurans | Descriptor: | Heat shock protein-related protein | Authors: | Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J. | Deposit date: | 2012-05-30 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Alternative bacterial two-component small heat shock protein systems. Proc.Natl.Acad.Sci.USA, 109, 2012
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4J7V
| Crystal structure of cross-linked hen egg white lysozyme soaked with 5mM [Ru(benzene)Cl2]2 | Descriptor: | Benzeneruthenium(II) chloride, CHLORIDE ION, Lysozyme C, ... | Authors: | Tabe, H, Abe, S, Hikage, T, Kitagawa, S, Ueno, T. | Deposit date: | 2013-02-14 | Release date: | 2014-02-19 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Solid Artificial Metalloenzymes: Post-Engineering of Porous Protein Crystals by Organometallic Complexes To be Published
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3H79
| Crystal structure of Trypanosoma cruzi thioredoxin-like hypothetical protein Q4DV70 | Descriptor: | THIOCYANATE ION, Thioredoxin-like protein | Authors: | Santos, C.R, Fessel, M.R, Vieira, L.C, Krieger, M.A, Goldenberg, S, Guimaraes, B.G, Zanchin, N.I.T, Barbosa, J.A.R.G. | Deposit date: | 2009-04-24 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi thioredoxin-like hypothetical protein Q4DV70 TO BE PUBLISHED
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3PLL
| Endothiapepsin in complex with a fragment | Descriptor: | 2-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-15 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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4IB9
| Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) | Descriptor: | DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | Deposit date: | 2012-12-08 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography J.Mol.Recognit., 26, 2013
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3PMY
| Endothiapepsin in complex with a fragment | Descriptor: | Endothiapepsin, GLYCEROL, N-(1H-benzimidazol-1-yl)-2-phenylacetamide | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-18 | Release date: | 2011-11-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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3HBO
| Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2009-05-04 | Release date: | 2010-05-26 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3WZ7
| Endothiapepsin in complex with Gewald reaction-derived inhibitor (6) | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 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 (1.9 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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3HC9
| Ferric Horse Heart Myoglobin; H64V mutant | Descriptor: | Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2009-05-05 | Release date: | 2009-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron. J.Am.Chem.Soc., 131, 2009
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3GNJ
| The crystal structure of a thioredoxin-related protein from Desulfitobacterium hafniense DCB | Descriptor: | Thioredoxin domain protein | Authors: | Tan, K, Volkart, L, Gu, M, Kinney, J.N, Babnigg, G, Kerfeld, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-03-17 | Release date: | 2009-05-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The crystal structure of a thioredoxin-related protein from Desulfitobacterium hafniense DCB To be Published
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4FMX
| Crystal Structure of Substrate-Bound P450cin | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ... | Authors: | Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L. | Deposit date: | 2012-06-18 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation. Biochemistry, 51, 2012
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3ZKN
| BACE2 FAB INHIBITOR COMPLEX | Descriptor: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | Deposit date: | 2013-01-23 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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3PPY
| Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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4IIM
| Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide | Descriptor: | Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand | Authors: | Dong, A, Guan, X, Huang, H, Wernimont, A, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide To be Published
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3ZEV
| Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | Descriptor: | GLYCINE, NEUROTENSIN, NEUROTENSIN RECEPTOR 1 TM86V | Authors: | Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A. | Deposit date: | 2012-12-07 | Release date: | 2014-01-29 | Last modified: | 2014-02-26 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
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3PSU
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3PSY
| Endothiapepsin in complex with an inhibitor based on the Gewald reaction | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 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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4ILE
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4AFS
| Human Chymase - Fynomer Complex | Descriptor: | CHYMASE, FYNOMER, GLYCEROL, ... | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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4F4V
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-11 | Release date: | 2013-05-15 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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3HDK
| Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2009-05-07 | Release date: | 2010-04-28 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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4F51
| Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-11 | Release date: | 2013-05-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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4AG2
| Human Chymase - Fynomer Complex | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHYMASE, ... | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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