4FS4
 
 | | Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Stamford, A. | | Deposit date: | 2012-06-26 | | Release date: | 2012-10-10 | | Last modified: | 2014-07-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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4FSS
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3D1Z
 | | Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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3CWM
 | | Crystal structure of alpha-1-antitrypsin complexed with citrate | | Descriptor: | Alpha-1-antitrypsin, CITRIC ACID | | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
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4FU9
 | | Crystal Structure of the Urokinase | | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ... | | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | | Deposit date: | 2012-06-28 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Urokinase
To be Published
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3D2W
 | | Crystal structure of mouse TDP-43 RRM2 domain in complex with DNA | | Descriptor: | DNA (5'-D(*DGP*DTP*DTP*DGP*DAP*DGP*DCP*DGP*DTP*DT)-3'), PHOSPHATE ION, TAR DNA-binding protein 43 | | Authors: | Kuo, P.H, Yuan, H.S. | | Deposit date: | 2008-05-09 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural insights into TDP-43 in nucleic-acid binding and domain interactions
Nucleic Acids Res., 37, 2009
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4A6L
 | | beta-tryptase inhibitor | | Descriptor: | 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1 | | Authors: | Mathieu, M, Maignan, S. | | Deposit date: | 2011-11-04 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent.
Bioorg.Med.Chem.Lett., 22, 2012
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4FUF
 | | Crystal Structure of the Urokinase | | Descriptor: | 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ... | | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | | Deposit date: | 2012-06-28 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Urokinase
to be published
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4JOO
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | (4R)-2'-amino-6-bromo-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: | 2013-03-18 | | 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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3CY1
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3CZH
 | | Crystal structure of CYP2R1 in complex with vitamin D2 | | Descriptor: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
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3CIC
 | | Structure of BACE Bound to SCH709583 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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4AHL
 | | P112L - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | | Descriptor: | ANGIOGENIN, L(+)-TARTARIC ACID | | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | | Deposit date: | 2012-02-06 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
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3CIU
 | | Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic | | Descriptor: | 5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Bhatt, V.S, Zhang, Y, Sun, G, Wang, P.G, Palmer, A.F. | | Deposit date: | 2008-03-11 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic
To be Published
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4AQH
 | | Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 | | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR 1, TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE | | Authors: | Fjellstrom, O, Deinum, J, Sjogren, T, Johansson, C, Geschwindner, S, Nerme, V, Legnehed, A, McPheat, J, Olsson, K, Bodin, C, Gustafsson, D. | | Deposit date: | 2012-04-17 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation
J.Biol.Chem., 288, 2013
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3CL1
 | | M. loti cyclic-nucleotide binding domain, cyclic-GMP bound | | Descriptor: | CHLORIDE ION, CYCLIC GUANOSINE MONOPHOSPHATE, Mll3241 protein, ... | | Authors: | Clayton, G.M, Alteiri, S.L, Thomas, L.R, Morais-Cabral, J.H. | | Deposit date: | 2008-03-18 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
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4A1H
 | | Human myelin P2 protein, K45S mutant | | Descriptor: | CHLORIDE ION, GLYCEROL, MYELIN P2 PROTEIN, ... | | Authors: | Lehtimaki, M, Kursula, P. | | Deposit date: | 2011-09-15 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structure-Function Relationships in the Myelin Peripheral Membrane Protein P2
To be Published
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4G4H
 | | 100K X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 months of crystal storage | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | 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 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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4G5I
 | | Crystal Structure of Porcine pancreatic PlA2 in complex with DBP | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Prasanth, G.K, Naveen, C.D, Mandal, P.K, Karthe, P, Haridas, M, Sadasivan, C. | | Deposit date: | 2012-07-18 | | Release date: | 2012-11-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Porcine pancreatic PlA2 in complex with DBP
TO BE PUBLISHED
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4G49
 | | Room temperature X-ray diffraction of cisplatin binding to HEWL in aqueous media after 15 months of crystal storage | | Descriptor: | ACETATE ION, CHLORIDE ION, Cisplatin, ... | | 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 (2.4 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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3CP5
 | | Cytochrome c from rhodothermus marinus | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Stelter, M, Melo, A, Saraiva, L, Teixeira, M, Archer, M. | | Deposit date: | 2008-03-31 | | Release date: | 2008-10-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A novel type of monoheme cytochrome c: biochemical and structural characterization at 1.23 A resolution of rhodothermus marinus cytochrome c
Biochemistry, 47, 2008
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3CQP
 | | Human SOD1 G85R Variant, Structure I | | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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3CR6
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4AJX
 | | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | | Descriptor: | IMIDAZOLE, INSULIN, N-(16-Carboxyhexadecanoyl)-L-glutamic acid, ... | | Authors: | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | | Deposit date: | 2012-02-20 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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4A2Y
 | | STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH CITRATE ANIONS | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, EOSINOPHIL CATIONIC PROTEIN | | Authors: | Boix, E, Pulido, D, Moussaoui, M, Nogues, V, Russi, S. | | Deposit date: | 2011-09-29 | | Release date: | 2012-06-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Sulfate-Binding Site Structure of the Human Eosinophil Cationic Protein as Revealed by a New Crystal Form.
J.Struct.Biol., 179, 2012
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