6TIW
 
 | | Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2) | | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | | Deposit date: | 2019-11-22 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
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8RAZ
 | | The crystal structure of DNA-bound human MutSbeta (MSH2_E749A/MSH3_E976A) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Thomsen, M, Neudegger, T, Thieulin-Pardo, G, Blaesse, M, Costanzi, E, Steinbacher, S, Plotnikov, N.V, Dominguez, C, Iyer, R.R, Wilkinson, H.A, Monteagudo, E, Haque, T.S, Prasad, B.C, Finley, M, Boudet, J, Vogt, T.F, Felsenfeld, D.P. | | Deposit date: | 2023-12-01 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.843 Å) | | Cite: | The crystal structure of DNA-bound human MutSbeta (MSH2/MSH3) in the canonical mismatch bound conformation with ADP bound in MSH2 and MSH3
To Be Published
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5FBB
 | | S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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7UUZ
 | | Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ... | | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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3MJH
 | | Crystal Structure of Human Rab5A in complex with the C2H2 Zinc Finger of EEA1 | | Descriptor: | Early endosome antigen 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mishra, A.K, Eathiraj, S, Lambright, D.G. | | Deposit date: | 2010-04-12 | | Release date: | 2010-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural basis for Rab GTPase recognition and endosome tethering by the C2H2 zinc finger of Early Endosomal Autoantigen 1 (EEA1).
Proc.Natl.Acad.Sci.USA, 107, 2010
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8WYG
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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7UV0
 | | Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ... | | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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8RPJ
 | | JanthE from Janthinobacterium sp. HH01 | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5I0H
 | | Crystal structure of myosin X motor domain in pre-powerstroke state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Isabet, T, Blanc, F, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2016-02-04 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
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4MIJ
 | | Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-31 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4AVV
 | | Structure of CPHPC bound to Serum Amyloid P Component | | Descriptor: | (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kolstoe, S.E, Jenvey, M.C, Wood, S.P. | | Deposit date: | 2012-05-29 | | Release date: | 2013-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
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8IZC
 | | Human CK1 Delta Kinase structure bound to Inhibitor | | Descriptor: | Casein kinase I isoform delta, SULFATE ION, ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide | | Authors: | Ghosh, K. | | Deposit date: | 2023-04-06 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Discovery of BMS-986164, a Potent, Selective and Orally Efficacious CK1d/e/a Inhibitor from Pyrazolo-Piperazine Chemotype
To Be Published
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7XZN
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6T2Q
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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7YL4
 | | Cell surface protein YwfG protein (apo form) | | Descriptor: | CALCIUM ION, GRAM_POS_ANCHORING domain-containing protein, SULFATE ION | | Authors: | Tsuchiya, W, Fujimoto, Z, Suzuki, C. | | Deposit date: | 2022-07-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cell-surface protein YwfG of Lactococcus lactis binds to alpha-1,2-linked mannose.
Plos One, 18, 2023
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8SDR
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7YL5
 | | Cell surface protein YwfG protein complexed with mannose | | Descriptor: | CALCIUM ION, GRAM_POS_ANCHORING domain-containing protein, SULFATE ION, ... | | Authors: | Tsuchiya, W, Fujimoto, Z, Suzuki, C. | | Deposit date: | 2022-07-25 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cell-surface protein YwfG of Lactococcus lactis binds to alpha-1,2-linked mannose.
Plos One, 18, 2023
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8XLD
 | | Structure of the GFP:GFP-nanobody complex from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, Fluorescent protein, Nanobody(Staygold-S2G10)-Nanobody(Staygold-S4F1), ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-06 | | Last modified: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the GFP:GFP-nanobody complex from Biortus.
To Be Published
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3ME1
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8SDS
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8J0F
 | | GK tetramer with adjacent hooks at reaction state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase B, GAMMA-GLUTAMYL PHOSPHATE, ... | | Authors: | Zhang, T, Guo, C.J, Liu, J.L. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Dynamic Arabidopsis P5CS filament facilitates substrate channelling.
Nat.Plants, 10, 2024
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3MB6
 | | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | | Authors: | Reiser, J.-B, Prudent, R, Claude, C. | | Deposit date: | 2010-03-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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6A6V
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA | | Descriptor: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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2WG2
 | | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) | | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | Deposit date: | 2009-04-15 | | Release date: | 2010-04-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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