7XGP
| Human renin in complex with compound3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J.Med.Chem., 65, 2022
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4DBK
| Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine | Descriptor: | BERBERINE, CALCIUM ION, Phospholipase A2, ... | Authors: | Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M. | Deposit date: | 2012-01-16 | Release date: | 2012-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine To be Published
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4DDB
| EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | 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 (3 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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4DTY
| cytochrome P450 BM3h-8C8 MRI sensor, no ligand | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 | 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 (1.45 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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3PGI
| Endothiapepsin in complex with a fragment | Descriptor: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-02 | Release date: | 2011-10-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 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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3PHV
| X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES | Descriptor: | UNLIGANDED HIV-1 PROTEASE | Authors: | Lapatto, R, Blundell, T.L, Hemmings, A, Wilderspin, A, Wood, S.P, Danley, D.E, Geoghegan, K.F, Hawrylik, S.J, Hobart, P.M. | Deposit date: | 1991-11-04 | Release date: | 1992-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes. Nature, 342, 1989
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1IOT
| STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | Descriptor: | LYSOZYME C | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | Deposit date: | 2001-03-28 | Release date: | 2001-04-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation. Protein Sci., 10, 2001
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4DWT
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4DJX
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4JP9
| Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | Descriptor: | (4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
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4JS0
| Complex of Cdc42 with the CRIB-PR domain of IRSp53 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, Cell division control protein 42 homolog, ... | Authors: | Kast, D.J, Dominguez, R. | Deposit date: | 2013-03-22 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of IRSp53 inhibition and combinatorial activation by Cdc42 and downstream effectors. Nat.Struct.Mol.Biol., 21, 2014
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4DMU
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4DZT
| Aqualysin I: the crystal structure of a serine protease from an extreme thermophile, Thermus aquaticus YT-1 | Descriptor: | Aqualysin-1, CALCIUM ION, phenylmethanesulfonic acid | Authors: | Barnett, B.L, Green, P.R, Strickland, L.C, Oliver, J.D, Rydel, T, Sullivan, J.F. | Deposit date: | 2012-03-01 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Aqualysin I: the crystal structure of a serine protease from an extreme thermophile, Thermus aquaticus YT-1 To be Published
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3PH5
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4JUT
| Crystal structure of a mutant fragment of Human HSPB6 | Descriptor: | GLYCEROL, Heat shock protein beta-6 | Authors: | Weeks, S.D, Baranova, E.V, Beelen, S, Heirbaut, M, Gusev, N.B, Strelkov, S.V. | Deposit date: | 2013-03-25 | Release date: | 2014-02-05 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Molecular structure and dynamics of the dimeric human small heat shock protein HSPB6. J.Struct.Biol., 185, 2014
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3PH6
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4JV4
| Crystal Structure of RIalpha(91-379) bound to HE33, a N6 di-propyl substituted cAMP analog | Descriptor: | (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Brown, S.H.J, Cheng, C.Y, Saldanha, A.S, Wu, J, Cottam, H, Sankaran, B, Taylor, S.S. | Deposit date: | 2013-03-25 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Implementing Fluorescence Anisotropy Screening and Crystallographic Analysis to Define PKA Isoform-Selective Activation by cAMP Analogs. Acs Chem.Biol., 8, 2013
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7XJG
| Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom | Descriptor: | DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ... | Authors: | Wang, Y.J, Guan, Z.Y, Zou, T.T. | Deposit date: | 2022-04-17 | Release date: | 2022-09-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism. Nat Microbiol, 7, 2022
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4DQG
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1IWZ
| Crystal Structure Analysis of Human lysozyme at 178K. | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Joti, Y, Nakasako, M, Kidera, A, Go, N. | Deposit date: | 2002-06-03 | Release date: | 2002-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors. Acta Crystallogr.,Sect.D, 58, 2002
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4DJU
| Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2012-02-02 | Release date: | 2012-03-21 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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1IY3
| Solution Structure of the Human lysozyme at 4 degree C | Descriptor: | Lysozyme | Authors: | Kumeta, H, Miura, A, Kobashigawa, Y, Miura, K, Oka, C, Nitta, K, Nemoto, N, Tsuda, S. | Deposit date: | 2002-07-15 | Release date: | 2002-07-31 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Low-temperature-induced structural changes in human lysozyme elucidated by three-dimensional NMR spectroscopy Biochemistry, 42, 2003
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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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4J6L
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3PWC
| Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 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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