7A6Q
 
 | | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound | | Descriptor: | (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium, 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile, Aldehyde dehydrogenase family 1 member A3, ... | | Authors: | Gelardi, E.L.M, Garavaglia, S. | | Deposit date: | 2020-08-26 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Selective Competitive Inhibitor of Aldehyde Dehydrogenase 1A3 Hinders Cancer Cell Growth, Invasiveness and Stemness In Vitro.
Cancers (Basel), 13, 2021
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6RFQ
 | | Cryo-EM structure of a respiratory complex I assembly intermediate with NDUFAF2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | | Authors: | Parey, K, Vonck, J. | | Deposit date: | 2019-04-16 | | Release date: | 2019-12-11 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
Sci Adv, 5, 2019
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2Y88
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE (VARIANT D11N) WITH BOUND PRFAR | | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Authors: | Kuper, J, Due, A.V, Geerlof, A, Wilmanns, M. | | Deposit date: | 2011-02-03 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase from Mycobacterium Tuberculosis by Active Site Metamorphosis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6ZN7
 | | MaeB malic enzyme domain apoprotein | | Descriptor: | MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
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4YZ3
 | | Crystal Structure of Streptococcus pneumoniae NanC, in complex with Oseltamivir. | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase, SULFATE ION | | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of Streptococcus pneumoniae NanC.
To Be Published
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6RJK
 | | Structure of virulence factor SghA from Agrobacterium tumefaciens | | Descriptor: | Beta-glucosidase | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-27 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HDJ
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6ZNG
 | | MaeB full-length acetyl-CoA bound state | | Descriptor: | ACETYL COENZYME *A, NADP-dependent malate dehydrogenase,Malate dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
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2YGO
 | | WIF domain-EGF-like domain 1 of human Wnt inhibitory factor 1 in complex with 1,2-dipalmitoylphosphatidylcholine | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Malinauskas, T, Aricescu, A.R, Lu, W, Siebold, C, Jones, E.Y. | | Deposit date: | 2011-04-19 | | Release date: | 2011-07-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Modular Mechanism of Wnt Signaling Inhibition by Wnt Inhibitory Factor 1
Nat.Struct.Mol.Biol., 18, 2011
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6RNC
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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2YPK
 | | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-57 ALPHA CHAIN, ... | | Authors: | Stewart-Jones, G.B, Simpson, P, Van Der Merwe, P.A, Easterbrook, P, Mcmichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4Z46
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2L9J
 | | hRSV M2-1 core domain structure | | Descriptor: | Matrix protein 2-1 | | Authors: | Dubosclard, V, Blondot, M, Bontems, F, Eleouet, J, Sizun, C. | | Deposit date: | 2011-02-12 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and functional analysis of the RNA- and viral phosphoprotein-binding domain of respiratory syncytial virus M2-1 protein.
Plos Pathog., 8, 2012
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6RO3
 | | 2Yr-X: Lysozyme with Re Cluster 2 year on shelf | | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2019-05-10 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
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4Z3Z
 | | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc | | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | | Deposit date: | 2015-04-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.666 Å) | | Cite: | Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
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6RP7
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | Descriptor: | 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | Authors: | Coste, F, Goffinont, S, Castaing, B. | | Deposit date: | 2019-05-14 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RNB
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6RO2
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | Descriptor: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | Authors: | Coste, F, Goffinont, S, Castaing, B. | | Deposit date: | 2019-05-10 | | Release date: | 2020-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RRH
 | | GOLGI ALPHA-MANNOSIDASE II | | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2019-05-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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2LQZ
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2LME
 | | Solid-state NMR structure of the membrane anchor domain of the trimeric autotransporter YadA | | Descriptor: | Adhesin yadA | | Authors: | Shahid, S.A, Bardiaux, B, Franks, W.T, Habeck, M, Linke, D, van Rossum, B. | | Deposit date: | 2011-11-30 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Membrane-protein structure determination by solid-state NMR spectroscopy of microcrystals.
Nat.Methods, 9, 2012
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4ZE0
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-04-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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4ZEP
 | | Structure of Gan1D, a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-glucose | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, IMIDAZOLE, ... | | Authors: | Lansky, S, Zehavi, A, Dvir, H, Shoham, Y, Shoham, G. | | Deposit date: | 2015-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of Gan1D, a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-glucose
To Be Published
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4ZFB
 | | Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | | Deposit date: | 2015-04-21 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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