5G1W
 
 | | Apo Structure of Linalool Dehydratase-Isomerase | | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-03-30 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
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3LXS
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5GXB
 | | crystal structure of a LacY/Nanobody complex | | Descriptor: | Lactose permease, nanobody | | Authors: | Jiang, X, Wu, J.P, Yan, N, Kaback, H.R. | | Deposit date: | 2016-09-16 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of a LacY-nanobody complex in a periplasmic-open conformation.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G5H
 | | Escherichia coli Periplasmic Aldehyde Oxidase R440H mutant | | Descriptor: | ACETATE ION, Aldehyde oxidoreductase FAD-binding subunit PaoB, Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA, ... | | Authors: | Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2016-05-25 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016
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3L7G
 | | Crystal structure of organophosphate anhydrolase/prolidase | | Descriptor: | MANGANESE (II) ION, N,N'-bis(1-methylethyl)phosphorodiamidic acid, Xaa-Pro dipeptidase | | Authors: | Vyas, N.K, Nickitenko, A, Quiocho, F.A. | | Deposit date: | 2009-12-28 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the dual activities of the nerve agent degrading organophosphate anhydrolase/prolidase.
Biochemistry, 49, 2010
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6UCD
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5GWG
 | | Solution structure of rattusin | | Descriptor: | Defensin alpha-related sequence 1 | | Authors: | Lee, C.W, Min, H.J. | | Deposit date: | 2016-09-11 | | Release date: | 2017-04-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Rattusin structure reveals a novel defensin scaffold formed by intermolecular disulfide exchanges
Sci Rep, 7, 2017
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5H3N
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3L7U
 | | Crystal structure of human NM23-H1 | | Descriptor: | Nucleoside diphosphate kinase A, PHOSPHATE ION | | Authors: | Han, B.G, Min, K, Lee, B.I, Lee, S. | | Deposit date: | 2009-12-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Refined Structure of Human NM23-H1 from a Hexagonal Crystal
BULL.KOREAN CHEM.SOC., 31, 2010
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5GWM
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5GSF
 | | Structure of roseltide rT1 | | Descriptor: | roseltide rT1 | | Authors: | Xiao, T, Tam, J.P. | | Deposit date: | 2016-08-16 | | Release date: | 2017-01-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Identification and Characterization of Roseltide, a Knottin-type Neutrophil Elastase Inhibitor Derived from Hibiscus sabdariffa.
Sci Rep, 6, 2016
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3L5Z
 | | Crystal structure of transcriptional regulator, GntR family from Bacillus cereus | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Transcriptional regulator, ... | | Authors: | Chang, C, Hatzos, C, Feldmann, B, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-12-22 | | Release date: | 2010-01-05 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of transcriptional regulator, GntR family from Bacillus cereus
To be Published
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5GJL
 | | Solution structure of SUMO from Plasmodium falciparum | | Descriptor: | Uncharacterized protein | | Authors: | Singh, J.S, Shukla, V.K, Gujrati, M, Mishra, R.K, Kumar, A. | | Deposit date: | 2016-06-30 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure, dynamics and interaction study of SUMO from Plasmodium falciparum
To Be Published
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3L68
 | | Xenobiotic Reductase A - C25S variant with coumarin | | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Spiegelhauer, O, Dobbek, H. | | Deposit date: | 2009-12-23 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study
J.Mol.Biol., 398, 2010
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5GGM
 | | The NMR structure of calmodulin in CTAB reverse micelles | | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | | Authors: | Xu, G, Cheng, K, Wu, Q, Liu, M, Li, C. | | Deposit date: | 2016-06-16 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of calmodulin in CTAB reverse micelles
To Be Published
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5H1H
 | | NMR structure of SLBA, a chimera of SFTI | | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | | Authors: | Xiao, T, Tam, J.P. | | Deposit date: | 2016-10-10 | | Release date: | 2017-04-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
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5H1I
 | | NMR structure of TIBA, a chimera of SFTI | | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | | Authors: | Xiao, T, Tam, J.P. | | Deposit date: | 2016-10-10 | | Release date: | 2017-04-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
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3L6J
 | | Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain | | Descriptor: | 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein | | Authors: | Martin, F, van den Akker, F. | | Deposit date: | 2009-12-23 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of cinaciguat (BAY 58-2667) bound to Nostoc H-NOX domain reveals insights into heme-mimetic activation of the soluble guanylyl cyclase.
J.Biol.Chem., 285, 2010
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3L8W
 | | Urate oxidase from aspergillus flavus complexed with xanthin | | Descriptor: | SODIUM ION, Uricase, XANTHINE, ... | | Authors: | Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M. | | Deposit date: | 2010-01-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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5GPH
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5G6V
 | | Crystal structure of the PCTAIRE1 kinase in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16 | | Authors: | Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
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3L72
 | | Chicken cytochrome BC1 complex with kresoxim-I-dimethyl bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME B, ... | | Authors: | Huang, L, Zhang, Z, Berry, E.A. | | Deposit date: | 2009-12-27 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
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3L9M
 | | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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5GAJ
 | | Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 | | Descriptor: | DE NOVO DESIGNED PROTEIN OR258 | | Authors: | Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-12-01 | | Release date: | 2016-01-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
To Be Published
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5GIW
 | | Solution NMR structure of Humanin containing a D-isomerized serine residue | | Descriptor: | Humanin | | Authors: | Furuita, K, Sugiki, T, Alsanousi, N, Fujiwara, T, Kojima, C. | | Deposit date: | 2016-06-25 | | Release date: | 2016-07-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure and inhibitory effect against amyloid-beta fibrillation of Humanin containing a d-isomerized serine residue
Biochem.Biophys.Res.Commun., 477, 2016
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