7X4U
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![BU of 7x4u by Molmil](/molmil-images/mine/7x4u) | Crystal structure of ERK2 with an allosteric inhibitor 2 | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | 著者 | Yoshida, M, Kinoshita, T. | 登録日 | 2022-03-03 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural basis for producing allosteric ERK2 inhibitors To Be Published
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7WGE
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![BU of 7wge by Molmil](/molmil-images/mine/7wge) | Human NLRP1 complexed with thioredoxin | 分子名称: | MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 1, ... | 著者 | Zhang, Z, Ohto, U, Shimizu, T. | 登録日 | 2021-12-28 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-18 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis for thioredoxin-mediated suppression of NLRP1 inflammasome. Nature, 622, 2023
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7W5O
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![BU of 7w5o by Molmil](/molmil-images/mine/7w5o) | Crystal structure of ERK2 with an allosteric inhibitor | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Yoshida, M, Kinoshita, T. | 登録日 | 2021-11-30 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of a novel target site for ATP-independent ERK2 inhibitors. Biochem.Biophys.Res.Commun., 593, 2022
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7W4P
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![BU of 7w4p by Molmil](/molmil-images/mine/7w4p) | The structure of KATP H175K mutant in closed state | 分子名称: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Chen, L, Wang, M. | 登録日 | 2021-11-28 | 公開日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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7W4O
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![BU of 7w4o by Molmil](/molmil-images/mine/7w4o) | The structure of KATP H175K mutant in pre-open state | 分子名称: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Chen, L, Wang, M. | 登録日 | 2021-11-28 | 公開日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides. Nat Commun, 13, 2022
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7URT
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![BU of 7urt by Molmil](/molmil-images/mine/7urt) | |
7URN
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![BU of 7urn by Molmil](/molmil-images/mine/7urn) | |
7UP8
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![BU of 7up8 by Molmil](/molmil-images/mine/7up8) | |
7UP7
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![BU of 7up7 by Molmil](/molmil-images/mine/7up7) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | 分子名称: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Abendroth, J, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP6
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![BU of 7up6 by Molmil](/molmil-images/mine/7up6) | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | 分子名称: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Abendroth, J, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-08-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP5
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![BU of 7up5 by Molmil](/molmil-images/mine/7up5) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | 分子名称: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Edwards, T.E, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP4
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![BU of 7up4 by Molmil](/molmil-images/mine/7up4) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | 分子名称: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Abendroth, J, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UMB
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![BU of 7umb by Molmil](/molmil-images/mine/7umb) | NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Marsiglia, W.M, Khan, K.M, Dar, A.C. | 登録日 | 2022-04-06 | 公開日 | 2023-09-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.231 Å) | 主引用文献 | Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes. Nat.Chem.Biol., 20, 2024
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7UI5
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![BU of 7ui5 by Molmil](/molmil-images/mine/7ui5) | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9 | 分子名称: | CALCIUM ION, Protein S100-A9 | 著者 | Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J. | 登録日 | 2022-03-28 | 公開日 | 2022-10-26 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Evolution avoids a pathological stabilizing interaction in the immune protein S100A9. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UGB
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7T13
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7T12
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7S61
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![BU of 7s61 by Molmil](/molmil-images/mine/7s61) | Human KATP channel in open conformation, focused on Kir and one SUR, position 5 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | 著者 | Zhao, C, MacKinnon, R. | 登録日 | 2021-09-12 | 公開日 | 2021-12-01 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Molecular structure of an open human K ATP channel. Proc.Natl.Acad.Sci.USA, 118, 2021
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7S60
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![BU of 7s60 by Molmil](/molmil-images/mine/7s60) | Human KATP channel in open conformation, focused on Kir and one SUR, position 4 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | 著者 | Zhao, C, MacKinnon, R. | 登録日 | 2021-09-12 | 公開日 | 2021-12-01 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Molecular structure of an open human K ATP channel. Proc.Natl.Acad.Sci.USA, 118, 2021
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7S5Z
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![BU of 7s5z by Molmil](/molmil-images/mine/7s5z) | Human KATP channel in open conformation, focused on Kir and one SUR, position 3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | 著者 | Zhao, C, MacKinnon, R. | 登録日 | 2021-09-12 | 公開日 | 2021-12-01 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Molecular structure of an open human K ATP channel. Proc.Natl.Acad.Sci.USA, 118, 2021
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7S5Y
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![BU of 7s5y by Molmil](/molmil-images/mine/7s5y) | Human KATP channel in open conformation, focused on Kir and one SUR, position 2 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | 著者 | Zhao, C, MacKinnon, R. | 登録日 | 2021-09-12 | 公開日 | 2021-12-01 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Molecular structure of an open human K ATP channel. Proc.Natl.Acad.Sci.USA, 118, 2021
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7S5X
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![BU of 7s5x by Molmil](/molmil-images/mine/7s5x) | Human KATP channel in open conformation, focused on Kir and one SUR, position 1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | 著者 | Zhao, C, MacKinnon, R. | 登録日 | 2021-09-12 | 公開日 | 2021-12-01 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Molecular structure of an open human K ATP channel. Proc.Natl.Acad.Sci.USA, 118, 2021
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7S5T
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7S1N
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7RJ4
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![BU of 7rj4 by Molmil](/molmil-images/mine/7rj4) | |