5G1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g1w by Molmil](/molmil-images/mine/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
|
|
3LXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lxs by Molmil](/molmil-images/mine/3lxs) | |
5GXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gxb by Molmil](/molmil-images/mine/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
|
|
5G5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g5h by Molmil](/molmil-images/mine/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
|
|
3L7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l7g by Molmil](/molmil-images/mine/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
|
|
6UCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ucd by Molmil](/molmil-images/mine/6ucd) | |
5GWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gwg by Molmil](/molmil-images/mine/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
|
|
5H3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h3n by Molmil](/molmil-images/mine/5h3n) | |
3L7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l7u by Molmil](/molmil-images/mine/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
|
|
5GWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gwm by Molmil](/molmil-images/mine/5gwm) | |
5GSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gsf by Molmil](/molmil-images/mine/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
|
|
3L5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5z by Molmil](/molmil-images/mine/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
|
|
5GJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gjl by Molmil](/molmil-images/mine/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
|
|
3L68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l68 by Molmil](/molmil-images/mine/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
|
|
5GGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ggm by Molmil](/molmil-images/mine/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
|
|
5H1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1h by Molmil](/molmil-images/mine/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
|
|
5H1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1i by Molmil](/molmil-images/mine/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
|
|
3L6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l6j by Molmil](/molmil-images/mine/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
|
|
3L8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l8w by Molmil](/molmil-images/mine/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
|
|
5GPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gph by Molmil](/molmil-images/mine/5gph) | |
5G6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g6v by Molmil](/molmil-images/mine/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
|
|
3L72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l72 by Molmil](/molmil-images/mine/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
|
|
3L9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l9m by Molmil](/molmil-images/mine/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
|
|
5GAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gaj by Molmil](/molmil-images/mine/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
|
|
5GIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5giw by Molmil](/molmil-images/mine/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
|
|