8GX3
 
 | | The crystal structure of human Calpain-1 protease core in complex with 14c | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
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8GXI
 | | The crystal structure of SARS-CoV-2 main protease in complex with 14c | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14c
To Be Published
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8GX2
 | | The crystal structure of human CtsL in complex with 14c | | Descriptor: | DIMETHYL SULFOXIDE, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human CtsL in complex with 14a
To Be Published
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8GXG
 | | The crystal structure of SARS-CoV-2 main protease in complex with 14a | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-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 | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14a
To Be Published
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8GXH
 | | The crystal structure of SARS-CoV-2 main protease in complex with 14b | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14b
To Be Published
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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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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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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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6TR7
 | | N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
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6TR6
 | | N-acetylserotonin-Notum complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 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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7R9J
 | | Methanococcus maripaludis chaperonin, open conformation 4 | | 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 (6.3 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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7R9I
 | | Methanococcus maripaludis chaperonin, open 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 (6.4 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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7R9K
 | | Methanococcus maripaludis chaperonin, closed conformation 4 | | 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 (4.1 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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7R9H
 | | Methanococcus maripaludis chaperonin, open 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 (6.3 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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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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1VBT
 | | Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | | Deposit date: | 1998-06-16 | | Release date: | 1999-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insight Into Conversion of Substrate to Inhibitor
To be Published
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