4RBV
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4RBU
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8SCA
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![BU of 8sca by Molmil](/molmil-images/mine/8sca) | Rec3 Domain from S. pyogenes Cas9 | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | Deposit date: | 2023-04-05 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci Adv, 10, 2024
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8F43
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![BU of 8f43 by Molmil](/molmil-images/mine/8f43) | HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant | Descriptor: | CRISPR-associated endonuclease Cas9 | Authors: | D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G. | Deposit date: | 2022-11-10 | Release date: | 2022-12-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage. J.Chem.Phys., 157, 2022
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1PPF
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![BU of 1ppf by Molmil](/molmil-images/mine/1ppf) | X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR | Descriptor: | HUMAN LEUKOCYTE ELASTASE, TURKEY OVOMUCOID INHIBITOR (OMTKY3), alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bode, W, Wei, A-Z. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor. EMBO J., 5, 1986
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3NSH
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![BU of 3nsh by Molmil](/molmil-images/mine/3nsh) | BACE-1 in complex with ELN475957 | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N. | Deposit date: | 2010-07-01 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg.Med.Chem.Lett., 20, 2010
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3IVH
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3IVI
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![BU of 3ivi by Molmil](/molmil-images/mine/3ivi) | Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents | Descriptor: | Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ... | Authors: | Pan, H. | Deposit date: | 2009-09-01 | Release date: | 2010-01-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg.Med.Chem.Lett., 19, 2009
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4RBT
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4QIF
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![BU of 4qif by Molmil](/molmil-images/mine/4qif) | Crystal Structure of PduA with edge mutation K26A and pore mutation S40H | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... | Authors: | Pang, A.H, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2014-05-30 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9951 Å) | Cite: | Selective molecular transport through the protein shell of a bacterial microcompartment organelle. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QIG
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3N4L
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![BU of 3n4l by Molmil](/molmil-images/mine/3n4l) | BACE-1 in complex with ELN380842 | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | Authors: | Yao, N.H. | Deposit date: | 2010-05-21 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg.Med.Chem.Lett., 20, 2010
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2DTW
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![BU of 2dtw by Molmil](/molmil-images/mine/2dtw) | Crystal Structure of basic winged bean lectin in complex with 2Me-O-D-Galactose | Descriptor: | 2-O-methyl-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | Deposit date: | 2006-07-18 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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