4CKA
| STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS) | Descriptor: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | Deposit date: | 2013-12-31 | Release date: | 2014-07-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition. J.Med.Chem., 57, 2014
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3OIV
| H-RasG12V with allosteric switch in the "off" state | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | Authors: | Buhrman, G, Mattos, C. | Deposit date: | 2010-08-20 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase. J.Biol.Chem., 286, 2011
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4EP6
| Crystal structure of the XplA heme domain in complex with imidazole and PEG | Descriptor: | Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ... | Authors: | Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA. J.Biol.Chem., 287, 2012
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6FSJ
| Crystal structure of TCE-treated Lysozyme | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C | Authors: | Pichlo, C, Baumann, U. | Deposit date: | 2018-02-19 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer. Acta Crystallogr F Struct Biol Commun, 74, 2018
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4EQ0
| Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-17 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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6FTY
| COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | Descriptor: | 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL | Authors: | Ostermann, N. | Deposit date: | 2018-02-26 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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3OOZ
| Bace1 in complex with the aminohydantoin Compound 102 | Descriptor: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-08-31 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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4EX1
| 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: | 2012-04-29 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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3OUB
| MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide | Descriptor: | MDR HIV-1 protease, NC/p1 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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4EXZ
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3OVE
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4EY9
| 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: | 2012-05-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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4EYD
| 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: | 2012-05-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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4E89
| Crystal Structure of RnaseH from gammaretrovirus | Descriptor: | CADMIUM ION, MAGNESIUM ION, RNase H | Authors: | Kim, J.H, Kim, S.J. | Deposit date: | 2012-03-19 | Release date: | 2012-10-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of xenotropic murine leukaemia virus-related virus (XMRV) ribonuclease H Biosci.Rep., 32, 2012
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6E04
| sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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4EGP
| The X-ray crystal structure of CYP199A4 in complex with 2-naphthoic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | Deposit date: | 2012-03-31 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
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4EB1
| Hyperstable in-frame insertion variant of antithrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III | Authors: | Martinez-Martinez, I, Johnson, D.J.D, Yamasaki, M, Corral, J, Huntington, J.A. | Deposit date: | 2012-03-23 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Type II antithrombin deficiency caused by a large in-frame insertion: structural, functional and pathological relevance. J.Thromb.Haemost., 10, 2012
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3P3X
| Crystal Structure of the Cytochrome P450 Monooxygenase AurH (nterm-AurH-I) from Streptomyces Thioluteus | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C. | Deposit date: | 2010-10-05 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. J.Am.Chem.Soc., 133, 2011
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3ONZ
| Human tetrameric hemoglobin: proximal nitrite ligand at beta | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | Authors: | Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin. Biochemistry, 50, 2011
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3OO5
| R-state human hemoglobin: nitriheme modified | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | Authors: | Yi, J, Thormas, L.M, Richter-Addo, G.B. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin. Biochemistry, 50, 2011
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4EK1
| Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Goodin, D.B. | Deposit date: | 2012-04-08 | Release date: | 2012-07-25 | Last modified: | 2012-08-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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3P4L
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6E3Z
| Structure of Bace-1 in complex with Ligand 8 | Descriptor: | Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide | Authors: | Shaffer, P.L. | Deposit date: | 2018-07-16 | Release date: | 2019-09-11 | Last modified: | 2020-03-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor Acs Symp.Ser., 1307, 2020
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3OUD
| MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide | Descriptor: | CA/p2 substrate peptide, MDR HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3P5G
| Structure of the carbohydrate-recognition domain of human Langerin with Blood group B trisaccharide (Gal alpha1-3(Fuc alpha1-2)Gal) | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, alpha-L-fucopyranose, ... | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | Deposit date: | 2010-10-08 | Release date: | 2010-12-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6027 Å) | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol., 405, 2011
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