2XSF
 
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4GEZ
 | | Structure of a neuraminidase-like protein from A/bat/Guatemala/164/2009 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yang, H, Carney, P.J, Donis, R.O, Stevens, J. | | Deposit date: | 2012-08-02 | | Release date: | 2012-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4B72
 | | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | | Deposit date: | 2012-08-16 | | Release date: | 2013-06-26 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
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4K7M
 | | Crystal structure of RNase S variant (K7C/Q11C) with bound mercury ions | | Descriptor: | MERCURY (II) ION, Ribonuclease pancreatic, SULFATE ION | | Authors: | Genz, M, Straeter, N. | | Deposit date: | 2013-04-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide- Protein Complementation
Z.Anorg.Allg.Chem., 639, 2013
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4B7J
 | | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2012-08-20 | | Release date: | 2012-10-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
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7XKK
 | | Human Cx36/GJD2 gap junction channel in detergents | | Descriptor: | Gap junction delta-2 protein | | Authors: | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | | Deposit date: | 2022-04-19 | | Release date: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
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2XOG
 | | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | | Deposit date: | 2010-08-16 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
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4K8S
 | | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity | | Descriptor: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one, Beta-secretase 1 | | Authors: | Jordan, S.R. | | Deposit date: | 2013-04-18 | | Release date: | 2013-07-10 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4KIV
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4G4B
 | | Room temperature X-ray diffraction study of cisplatin binding to HEWL in DMSO media with NAG after 7 months of crystal storage | | Descriptor: | CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ... | | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Kroon-Batenburg, L.M.J, Helliwell, J.R. | | Deposit date: | 2012-07-16 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure.
Acta Crystallogr.,Sect.F, 68, 2012
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2Y1Y
 | | Human alphaB crystallin ACD(residues 71-157) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALPHA-CRYSTALLIN B CHAIN, | | Authors: | Naylor, C.E, Bagneris, C, Clark, A.R, Keep, N.H, Slingsby, C. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove
J.Mol.Biol., 408, 2011
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2XN5
 | | Crystal structure of thyroxine-binding globulin complexed with Furosemide | | Descriptor: | 1,2-ETHANEDIOL, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | | Authors: | Qi, X, Yan, Y, Wei, Z, Zhou, A. | | Deposit date: | 2010-07-30 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
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4KE1
 | | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 | | Descriptor: | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione, Beta-Secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M, Li, V. | | Deposit date: | 2013-04-25 | | Release date: | 2013-07-03 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4GCD
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4B2R
 | | Solution structure of CCP modules 10-11 of complement factor H | | Descriptor: | COMPLEMENT FACTOR H | | Authors: | Makou, E, Mertens, H.D.T, Maciejewski, M, Soares, D.C, Matis, I, Schmidt, C.Q, Herbert, A.P, Svergun, D.I, Barlow, P.N. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-10 | | Last modified: | 2019-09-25 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Ccp Modules 10-12 Illuminates Functional Architecture of the Complement Regulator, Factor H.
J.Mol.Biol., 424, 2012
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2Y01
 | | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB102) | | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | | Deposit date: | 2010-11-30 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
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2XYF
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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4B4E
 | | 1.00 A Structure of Lysozyme Crystallized with (R)-2-methyl-2,4- pentanediol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C | | Authors: | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
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3R0W
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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1GB0
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-06-26 | | Release date: | 2000-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
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2XKG
 | | C.lacteus mini-Hb Leu86Ala mutant | | Descriptor: | NEURAL HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | | Deposit date: | 2010-07-08 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin.
J.Biol.Chem., 286, 2011
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1GFA
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-12-04 | | Release date: | 2000-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability.
J.Biol.Chem., 277, 2002
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3ZLQ
 | | BACE2 XAPERONE COMPLEX | | Descriptor: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, BETA-SECRETASE 2, XA4813 | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-01 | | Last modified: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
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1GFK
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-12-04 | | Release date: | 2000-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability.
J.Biol.Chem., 277, 2002
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1GFU
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-12-04 | | Release date: | 2000-12-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability.
J.Biol.Chem., 277, 2002
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