7R9M
 
 | | Methanococcus maripaludis chaperonin, closed conformation 2 | | Descriptor: | Chaperonin | | Authors: | Zhao, Y, Schmid, M, Frydman, J, Chiu, W. | | Deposit date: | 2021-06-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
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7R9E
 | | Methanococcus maripaludis chaperonin, open conformation 1 | | Descriptor: | Chaperonin | | Authors: | Zhao, Y, Schmid, M, Frydman, J, Chiu, W. | | Deposit date: | 2021-06-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
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7RAK
 | | Methanococcus maripaludis chaperonin complex in open conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperonin | | Authors: | Zhao, Y, Schmid, M, Frydman, J, Chiu, W. | | Deposit date: | 2021-07-01 | | Release date: | 2021-08-11 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
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7R9O
 | | Methanococcus maripaludis chaperonin, closed conformation 1 | | Descriptor: | Chaperonin | | Authors: | Zhao, Y, Schmid, M, Frydman, J, Chiu, W. | | Deposit date: | 2021-06-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
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7R9U
 | | Methanococcus maripaludis chaperonin, closed conformation 3 | | Descriptor: | Chaperonin | | Authors: | Zhao, Y, Schmid, M, Frydman, J, Chiu, W. | | Deposit date: | 2021-06-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
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5JQ7
 | | Crystal structure of Ebola glycoprotein in complex with toremifene | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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5KK2
 | | Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E. | | Deposit date: | 2016-06-20 | | Release date: | 2016-07-06 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
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3JUG
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6SNW
 | | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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6SNB
 | | Structure of Coxsackievirus A10 A-particle | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-23 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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1FGL
 | | Cyclophilin A complexed with a fragment of HIV-1 GAG protein | | Descriptor: | CYCLOPHILIN A, HIV-1 GAG PROTEIN | | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | | Deposit date: | 1996-11-18 | | Release date: | 1997-04-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclophilin A complexed with a fragment of HIV-1 gag protein: insights into HIV-1 infectious activity.
Structure, 5, 1997
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6SMG
 | | Structure of Coxsackievirus A10 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-21 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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6TFM
 | | Frizzled8 CRD | | Descriptor: | Frizzled-8 | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
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6TFB
 | | Carbamazepine binds Frizzled8 | | Descriptor: | Frizzled-8, GLYCEROL, benzo[b][1]benzazepine-11-carboxamide | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-11-13 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
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6TR5
 | | Melatonin-Notum complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.509 Å) | | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
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7QVZ
 | | ARUK3001043_Notum | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Hillier, J, Willis, N.J, Mahy, W, Fish, P, Jones, E.Y. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure Activity Analysis of Notum Fragment Screen Hits with Development
To Be Published
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4YVV
 | | Crystal structure of AKR1C3 complexed with glibenclamide | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YVX
 | | Crystal structure of AKR1C3 complexed with glimepiride | | Descriptor: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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4YVP
 | | Crystal Structure of AKR1C1 complexed with glibenclamide | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | Deposit date: | 2015-03-20 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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7VH8
 | | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Zhao, Y, Zhang, Q, Yang, H, Rao, Z. | | Deposit date: | 2021-09-21 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
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7W33
 | | The crystal structure of human CtsL in complex with 14a | | Descriptor: | N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The crystal structure of human CtsL in complex with 14a
To Be Published
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7W34
 | | The crystal structure of human CtsL in complex with 14b | | Descriptor: | N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The crystal structure of human CtsL in complex with 14a
To Be Published
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7W7O
 | | The crystal structure of human Calpain-1 protease core in complex with 14a | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2021-12-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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6G95
 | | Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | Deposit date: | 2018-04-10 | | Release date: | 2018-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
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6G9B
 | | Crystal structure of Ebolavirus glycoprotein in complex with imipramine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ... | | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | Deposit date: | 2018-04-10 | | Release date: | 2018-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
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