4I3Q
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3E55
| Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser off | 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: | 2008-08-13 | 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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3P3L
| Crystal Structure of the Cytochrome P450 monooxygenase AurH (wildtype) from Streptomyces Thioluteus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cytochrome P450, ... | 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 (2.1 Å) | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. J.Am.Chem.Soc., 133, 2011
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3UQO
| Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 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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4I0F
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3EKT
| Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.) | 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, PHOSPHATE ION, ... | Authors: | Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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3P6H
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4DD9
| EVAL processed HEWL, carboplatin DMSO paratone | Descriptor: | DIMETHYL SULFOXIDE, Lysozyme C, carboplatin | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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3UT3
| A novel PAI-I inhibitor and its structural mechanism | Descriptor: | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione, Plasminogen activator inhibitor 1 | Authors: | Lin, Z.H, Hong, Z.B, Shi, X.L, Hu, L.H, Andreasen, P.A, Huang, M.D. | Deposit date: | 2011-11-25 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A novel PAI-I inhibitor and its structural mechanism To be Published
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3P6T
| Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans | Descriptor: | Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B. | Deposit date: | 2010-10-11 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans To be Published
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3DJX
| Bovine Seminal Ribonuclease- cytidine 5' phosphate complex | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Seminal ribonuclease | Authors: | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-06-24 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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3P7F
| Structure of the human Langerin carbohydrate recognition domain | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION | Authors: | Skerra, A, Schiefner, A. | Deposit date: | 2010-10-12 | Release date: | 2010-11-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site. Mol.Immunol., 45, 2008
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4I3D
| Crystal structure of fluorescent protein UnaG N57A mutant | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bilirubin-inducible fluorescent protein UnaG | Authors: | Kumagai, A, Ando, R, Miyatake, H, Miyawaki, A. | Deposit date: | 2012-11-26 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | A bilirubin-inducible fluorescent protein from eel muscle Cell(Cambridge,Mass.), 153, 2013
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3DSK
| Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution | Descriptor: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, chloroplast, ... | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | Deposit date: | 2008-07-12 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes Nature, 455, 2008
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4DJY
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3P49
| Crystal Structure of a Glycine Riboswitch from Fusobacterium nucleatum | Descriptor: | GLYCINE, GLYCINE RIBOSWITCH, MAGNESIUM ION, ... | Authors: | Butler, E.B, Wang, J, Xiong, Y, Strobel, S. | Deposit date: | 2010-10-06 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structural basis of cooperative ligand binding by the glycine riboswitch. Chem.Biol., 18, 2011
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3P8G
| Crystal Structure of MT-SP1 in complex with benzamidine | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, GLUTATHIONE, ... | Authors: | Yuan, C, Huang, M, Chen, L. | Deposit date: | 2010-10-13 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1. Bmc Struct.Biol., 11, 2011
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4I00
| Crystal structure of influenza A neuraminidase N3-H274Y complexed with zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Li, Q, Qi, J, Vavricka, C.J, Gao, G.F. | Deposit date: | 2012-11-16 | Release date: | 2013-11-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance. J.Virol., 87, 2013
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4I0C
| The structure of the camelid antibody cAbHuL5 in complex with human lysozyme | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | De Genst, E, Chan, P.H, Pardon, E, Kumita, J.R, Christodoulou, J, Menzer, L, Chirgadze, D.Y, Robinson, C.V, Muyldermans, S, Matagne, A, Wyns, L, Dobson, C.M, Dumoulin, M. | Deposit date: | 2012-11-16 | Release date: | 2013-10-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A nanobody binding to non-amyloidogenic regions of the protein human lysozyme enhances partial unfolding but inhibits amyloid fibril formation. J.Phys.Chem.B, 117, 2013
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4I0Z
| Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | Descriptor: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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3P5D
| Structure of the carbohydrate-recognition domain of human Langerin with man5 (Man alpha1-3(Man alpha1-6)Man alpha1-6)(Man- alpha1-3)Man | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose, ... | 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 (1.8013 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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4DUF
| cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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4DLZ
| H-Ras Set 2 Ca(OAc)2/DTE, ordered off | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2012-02-06 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
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3DUY
| Crystal structure of human beta-secretase in complex with NVP-AFJ144 | Descriptor: | (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3DVS
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