3O9F
| Crystal Structure of wild-type HIV-1 Protease in complex with kd27 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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4CIO
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4CHA
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3NPS
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4DBR
| Myosin VI D179Y (MD) pre-powerstroke state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pylypenko, O, Sweeney, H.L, Houdusse, A. | Deposit date: | 2012-01-16 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating To be Published
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3O2Y
| Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid | Descriptor: | GLYCEROL, OLEIC ACID, PALMITIC ACID, ... | Authors: | Zhou, Y, Shaw, N, Li, Y, Zhao, Y, Zhang, R, Liu, Z.-J. | Deposit date: | 2010-07-23 | Release date: | 2010-09-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid To be Published
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6F1F
| The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure | Descriptor: | GLYCEROL, Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Lansky, S, Mousa, R, Metanis, N, Shoham, G. | Deposit date: | 2017-11-21 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.716 Å) | Cite: | BPTI folding revisited: switching a disulfide into methylene thioacetal reveals a previously hidden path. Chem Sci, 9, 2018
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6F1M
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6F1O
| Orthorhombic Lysozyme crystallized at 298 K and pH 4.5 | Descriptor: | CHLORIDE ION, Lysozyme C, PHOSPHATE ION | Authors: | Camara-Artigas, A. | Deposit date: | 2017-11-22 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol, 74, 2018
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7EHX
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4DPI
| BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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7EJV
| The co-crystal structure of DYRK2 with YK-2-69 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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3NX0
| Hinge-loop mutation can be used to control 3D domain swapping and amyloidogenesis of human cystatin C | Descriptor: | Cystatin-C, SULFATE ION | Authors: | Orlikowska, M, Jankowska, E, Kolodziejczyk, R, Jaskolski, M, Szymanska, A. | Deposit date: | 2010-07-12 | Release date: | 2010-12-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Hinge-loop mutation can be used to control 3D domain swapping and amyloidogenesis of human cystatin C. J.Struct.Biol., 173, 2011
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4DJ5
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3O9G
| Crystal Structure of wild-type HIV-1 Protease in complex with af53 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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6F60
| The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand | Descriptor: | Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound | Authors: | Merlino, A, Ferraro, G. | Deposit date: | 2017-12-04 | Release date: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules. Inorg Chem, 57, 2018
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3NXE
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4DUS
| Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Sickmier, E.A. | Deposit date: | 2012-02-22 | Release date: | 2012-10-10 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
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6F76
| Antibody derived (Abd-8) small molecule binding to KRAS. | Descriptor: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | Authors: | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions. Elife, 7, 2018
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4DLX
| H-Ras Set 1 CaCl2/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 (1.731 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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3NNH
| Crystal Structure of the CUGBP1 RRM1 with GUUGUUUUGUUU RNA | Descriptor: | CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3') | Authors: | Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J. | Deposit date: | 2010-06-23 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7501 Å) | Cite: | Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1. Structure, 18, 2010
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6FD8
| Gamma-s crystallin dimer | Descriptor: | Beta-crystallin S | Authors: | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | Deposit date: | 2017-12-22 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation. J. Mol. Biol., 431, 2019
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4DD1
| EVAL processed HEWL, cisplatin aqueous paratone | Descriptor: | 2-methylprop-1-ene, 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 (1.7 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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3NQ3
| Bovine beta-lactoglobulin complex with capric acid | Descriptor: | Beta-lactoglobulin, CHLORIDE ION, DECANOIC ACID, ... | Authors: | Loch, J.I, Lewinski, K. | Deposit date: | 2010-06-29 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two modes of fatty acid binding to bovine beta-lactoglobulin-crystallographic and spectroscopic studies J.Mol.Recognit., 24, 2011
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4DDA
| EVAL processed HEWL, NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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 (2.48 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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