6Y0B
 
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) | | 分子名称: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | 登録日 | 2020-02-07 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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6Y0A
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6VRE
 | | Structure of ASK1 bound to BIO-1772961 | | 分子名称: | 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2020-02-07 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6VRD
 | | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, RNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*(AS)P*(SC)P*(SC)P*(SC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), ... | | 著者 | Cho, Y.-J, Butler, D. | | 登録日 | 2020-02-07 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | | 主引用文献 | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
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6LW5
 | | Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm | | 分子名称: | CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV | | 著者 | Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B. | | 登録日 | 2020-02-07 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
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6VRF
 | | ADP bound TTBK2 kinase domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2020-02-07 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
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6Y02
 | | Thrombin in complex with 13k | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Abazi, N. | | 登録日 | 2020-02-06 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Thrombin in complex with 13k
To be published
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6Y05
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | 登録日 | 2020-02-06 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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6VQU
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6VQT
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6VPP
 | | Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the nucleotide-free state | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | | 著者 | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | | 登録日 | 2020-02-04 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
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6VQ6
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6VQ9
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6VQ8
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6VPO
 | | Cryo-EM structure of microtubule-bound KLP61F motor domain in the AMPPNP state | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | | 著者 | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | | 登録日 | 2020-02-04 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding.
Elife, 9, 2020
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6VQB
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6VQ7
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6VQA
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6XZ8
 | | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | | 分子名称: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | | 登録日 | 2020-02-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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6XZ9
 | | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | | 分子名称: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | | 登録日 | 2020-02-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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6VPG
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6VPM
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6VPI
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6VPJ
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6VPH
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