3Q40
 
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4EZO
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4EZZ
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3PH5
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7F3G
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3PI0
 | | Endothiapepsin in complex with a fragment | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.64 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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3PH6
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3PI9
 | | Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | | Deposit date: | 2010-11-05 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: |
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3PWM
 | | HIV-1 Protease Mutant L76V with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Zhang, Y, Weber, I.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts.
Biochemistry, 50, 2011
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4F1D
 | | 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: | 2012-05-06 | | Release date: | 2013-05-08 | | 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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4F26
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7EYI
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3PYH
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-13 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PRK
 | | INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE, PROTEINASE K | | Authors: | Wolf, W.M, Bajorath, J, Mueller, A, Raghunathan, S, Singh, T.P, Hinrichs, W, Saenger, W. | | Deposit date: | 1991-08-07 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution.
J.Biol.Chem., 266, 1991
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4F8A
 | | Cyclic nucleotide binding-homology domain from mouse EAG1 potassium channel | | Descriptor: | Potassium voltage-gated channel subfamily H member 1 | | Authors: | Marques-Carvalho, M.J, Sahoo, N, Muskett, F.W, Vieira-Pires, R.S, Gabant, G, Cadene, M, Schonherr, R, Morais-Cabral, J.H. | | Deposit date: | 2012-05-17 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural, Biochemical, and Functional Characterization of the Cyclic Nucleotide Binding Homology Domain from the Mouse EAG1 Potassium Channel.
J.Mol.Biol., 423, 2012
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4F6D
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4F6I
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7F26
 | | Crystal structure of lysozyme | | Descriptor: | Lysozyme C | | Authors: | Liang, M. | | Deposit date: | 2021-06-10 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel combined crystallization plate for high-throughput crystal screening and in situ data collection at a crystallography beamline.
Acta Crystallogr.,Sect.F, 77, 2021
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3Q02
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3Q3T
 | | Alkyl Amine Renin Inhibitors: Filling S1 from S3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Wu, Z, McKeever, B. | | Deposit date: | 2010-12-22 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.
Bioorg.Med.Chem.Lett., 21, 2011
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4FAF
 | | Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, substrate CA/p2 peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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4FB2
 | | Crystal Structure of Substrate-Free P450cin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-05-22 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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3PI3
 | | Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 5.0 | | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
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4F5B
 | | Triple mutant Src SH2 domain bound to phosphotyrosine | | Descriptor: | O-PHOSPHOTYROSINE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | | Deposit date: | 2012-05-12 | | Release date: | 2012-10-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling.
Sci.Signal., 5, 2012
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4F6B
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