4QOF
 
 | | Crystal structure of fmn quinone reductase 2 AT 1.55A | | Descriptor: | FLAVIN MONONUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION | | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | | Deposit date: | 2014-06-20 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of FMN quinone reductase 2 at 1.55A
To be Published
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6GLU
 | | Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate | | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | hMTH1 D120N in complex with LW14
To Be Published
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6GHZ
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5ZOD
 | | Crystal Structure of hFen1 in apo form | | Descriptor: | Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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3HUK
 | | Benzylacetate in complex with T4 lysozyme L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-14 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3DSI
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution | | Descriptor: | (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ... | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2008-07-12 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
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6JTK
 | | Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine | | Descriptor: | 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide, Beta-hexosaminidase | | Authors: | Chen, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
To Be Published
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3DYC
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7UFR
 | | Cryo-EM Structure of Bl_Man38A at 2.7 A | | Descriptor: | Alpha-mannosidase, ZINC ION | | Authors: | Santos, C.R, Cordeiro, R.L, Domingues, M.N, Borges, A.C, de Farias, M.A, Van Heel, M, Murakami, M.T, Portugal, R.V. | | Deposit date: | 2022-03-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM Structure of Bl_Man38A at 2.7 A
Nat.Chem.Biol., 2022
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2FPY
 | | Dual binding mode of a novel series of DHODH inhibitors | | Descriptor: | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ... | | Authors: | Baumgartner, R, Leban, J. | | Deposit date: | 2006-01-17 | | Release date: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
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6GK5
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6JUK
 | | Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | | Descriptor: | Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | | Deposit date: | 2019-04-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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6JWB
 | | Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION, ... | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-04-19 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
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2FWR
 | | Structure of Archaeoglobus Fulgidis XPB | | Descriptor: | DNA repair protein RAD25, ISOPROPYL ALCOHOL, PHOSPHATE ION | | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2006-02-02 | | Release date: | 2006-04-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
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7UFU
 | | Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A | | Descriptor: | Alpha-mannosidase, ZINC ION, alpha-D-mannopyranose | | Authors: | Santos, C.R, Cordeiro, R.L, Domingues, M.N, Borges, A.C, de Farias, M.A, Van Heel, M, Murakami, M.T, Portugal, R.V. | | Deposit date: | 2022-03-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A
Nat.Chem.Biol., 2022
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6GLF
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6GLL
 | | Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate | | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | hMTH1 N33A in complex with LW14
To Be Published
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6GSZ
 | | Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Pachl, P, Rezacova, P, Skerlova, J. | | Deposit date: | 2018-06-15 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus.
Acta Crystallogr D Struct Biol, 74, 2018
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6JX1
 | | Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101 | | Descriptor: | Formate dehydrogenase, GLYCEROL | | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | | Deposit date: | 2019-04-21 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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6JXG
 | | Crystasl Structure of Beta-glucosidase D2-BGL from Chaetomella Raphigera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, alpha-D-mannopyranose | | Authors: | Wang, A.H.-J, Lee, C.C, Kao, M.R, Ho, T.H.D. | | Deposit date: | 2019-04-23 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chaetomella raphigerabeta-glucosidase D2-BGL has intriguing structural features and a high substrate affinity that renders it an efficient cellulase supplement for lignocellulosic biomass hydrolysis.
Biotechnol Biofuels, 12, 2019
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4M32
 | | Crystal structure of gated-pore mutant D138N of second DNA-Binding protein under starvation from Mycobacterium smegmatis | | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | | Deposit date: | 2013-08-06 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
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4QY9
 | | X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Russo Krauss, I, Merlino, A. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-05 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
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4LTT
 | | Crystal structure of native apo toxin from Helicobacter pylori | | Descriptor: | Uncharacterized protein, toxin | | Authors: | Lee, B.J, Im, H, Pathak, C.C, Yoon, H.J. | | Deposit date: | 2013-07-23 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structure of apo and copper bound HP0894 toxin from Helicobacter pylori 26695 and insight into mRNase activity
Biochim.Biophys.Acta, 1834, 2013
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4QYE
 | | CHK1 kinase domain in complex with diarylpyrazine compound 1 | | Descriptor: | 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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6JZI
 | | Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S. | | Deposit date: | 2019-05-02 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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