8DL4
 
 | | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR | | 分子名称: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | 著者 | Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | | 登録日 | 2022-07-06 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
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7TZY
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7U71
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5KE0
 | | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | | 分子名称: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Lim, J. | | 登録日 | 2016-06-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
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7TRT
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8IYG
 | | Human neuronal gap junction channel connexin 36 | | 分子名称: | CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein | | 著者 | Mao, W.X, Chen, S.S. | | 登録日 | 2023-04-04 | | 公開日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | | 主引用文献 | Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM.
Arch.Biochem.Biophys., 754, 2024
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8DNK
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7TZN
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7TRU
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5KDY
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7TZW
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7TZX
 | | The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid | | 分子名称: | 4-(chloromethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Scaffidi-Muta, J, Bell, S.G. | | 登録日 | 2022-02-16 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.414 Å) | | 主引用文献 | Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
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6KZI
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | | 分子名称: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | | 登録日 | 2019-09-24 | | 公開日 | 2020-03-04 | | 最終更新日 | 2021-03-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6KZR
 | | Crystal structure of mouse DCAR2 CRD domain | | 分子名称: | C-type lectin domain family 4, member b1, CALCIUM ION, ... | | 著者 | Omahdi, Z, Horikawa, Y, Toyonaga, K, Teramoto, T, Kakuta, Y, Yamasaki, S. | | 登録日 | 2019-09-25 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR.
J.Biol.Chem., 295, 2020
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5KHK
 | | HCN2 CNBD in complex with 2-aminopurine riboside-3', 5'-cyclic monophosphate (2-NH2-cPuMP) | | 分子名称: | 2-Aminopurine riboside-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | 著者 | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | 登録日 | 2016-06-14 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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6LB1
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6A8O
 | | Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16 | | 分子名称: | Plasma kallikrein, alpha-D-mannopyranose, peptide inhibitor,, ... | | 著者 | Xu, M, Jiang, L, Huang, M. | | 登録日 | 2018-07-09 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Crystal structure of plasma kallikrein reveals the unusual flexibility of the S1 pocket triggered by Glu217.
Febs Lett., 592, 2018
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5KHJ
 | | HCN2 CNBD in complex with uridine-3', 5'-cyclic monophosphate (cUMP) | | 分子名称: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Uridine-3',5'-cyclic monophosphate | | 著者 | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | 登録日 | 2016-06-14 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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6L15
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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5KIC
 | | Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series | | 分子名称: | CALIFORNIUM ION, CHLORIDE ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ... | | 著者 | Rupert, P.B, Strong, R.K. | | 登録日 | 2016-06-16 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Chelation and stabilization of berkelium in oxidation state +IV.
Nat Chem, 9, 2017
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8J4L
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6AEA
 | | Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions | | 分子名称: | CHLORIDE ION, Lysozyme C, N,N,N',N'-tetramethylethane-1,2-diamine, ... | | 著者 | Seraj, Z, Seyedarabi, A. | | 登録日 | 2018-08-04 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
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8DNI
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6LCW
 | | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark | | 分子名称: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | 登録日 | 2019-11-20 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8DNJ
 | | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | | 分子名称: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Mohr, C. | | 登録日 | 2022-07-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
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