8GX3
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![BU of 8gx3 by Molmil](/molmil-images/mine/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
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![BU of 8gxi by Molmil](/molmil-images/mine/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
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![BU of 8gx2 by Molmil](/molmil-images/mine/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
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![BU of 8gxg by Molmil](/molmil-images/mine/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
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![BU of 8gxh by Molmil](/molmil-images/mine/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
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![BU of 1fgl by Molmil](/molmil-images/mine/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
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![BU of 6snw by Molmil](/molmil-images/mine/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
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![BU of 6snb by Molmil](/molmil-images/mine/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
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![BU of 6smg by Molmil](/molmil-images/mine/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
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![BU of 6tfm by Molmil](/molmil-images/mine/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
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![BU of 6tfb by Molmil](/molmil-images/mine/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
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![BU of 6tr5 by Molmil](/molmil-images/mine/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
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![BU of 6tr7 by Molmil](/molmil-images/mine/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
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![BU of 6tr6 by Molmil](/molmil-images/mine/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
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![BU of 7qvz by Molmil](/molmil-images/mine/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
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![BU of 7r9j by Molmil](/molmil-images/mine/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
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![BU of 7r9i by Molmil](/molmil-images/mine/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
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![BU of 7r9k by Molmil](/molmil-images/mine/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
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![BU of 7r9h by Molmil](/molmil-images/mine/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
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![BU of 7r9m by Molmil](/molmil-images/mine/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
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![BU of 7r9e by Molmil](/molmil-images/mine/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
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![BU of 7rak by Molmil](/molmil-images/mine/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
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![BU of 7r9o by Molmil](/molmil-images/mine/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
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![BU of 7r9u by Molmil](/molmil-images/mine/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
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![BU of 1vbt by Molmil](/molmil-images/mine/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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