8ABG
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![BU of 8abg by Molmil](/molmil-images/mine/8abg) | Complex III2 from Yarrowia lipolytica, oxidised with ferricyanide, c-position | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, CARDIOLIPIN, ... | 著者 | Wieferig, J.P, Kuhlbrandt, W. | 登録日 | 2022-07-04 | 公開日 | 2023-01-11 | 最終更新日 | 2023-01-25 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM. Iucrj, 10, 2023
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8AAZ
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8ABS
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![BU of 8abs by Molmil](/molmil-images/mine/8abs) | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | 分子名称: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | 著者 | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | 登録日 | 2022-07-04 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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8ABR
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![BU of 8abr by Molmil](/molmil-images/mine/8abr) | Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | 分子名称: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | 著者 | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | 登録日 | 2022-07-04 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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7YCX
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![BU of 7ycx by Molmil](/molmil-images/mine/7ycx) | The structure of INTAC-PEC complex | 分子名称: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1,DNA-directed RNA polymerase II subunit RPB1, ... | 著者 | Zheng, H, Jin, Q, Wang, X, Qi, Y, Liu, W, Ren, Y, Zhao, D, Chen, F.X, Cheng, J, Chen, X, Xu, Y. | 登録日 | 2022-07-02 | 公開日 | 2023-03-15 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | 主引用文献 | Structural basis of INTAC-regulated transcription. Protein Cell, 14, 2023
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | 分子名称: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y. | 登録日 | 2022-07-01 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/7ycc) | KRas G12C in complex with Compound 5c | 分子名称: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y. | 登録日 | 2022-07-01 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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8DJD
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8DJE
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![BU of 8dje by Molmil](/molmil-images/mine/8dje) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | 分子名称: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Muckelbauer, J.K. | 登録日 | 2022-06-30 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.374 Å) | 主引用文献 | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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8DJC
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![BU of 8djc by Molmil](/molmil-images/mine/8djc) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | 分子名称: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Muckelbauer, J.K. | 登録日 | 2022-06-30 | 公開日 | 2023-03-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.463 Å) | 主引用文献 | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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8DJ7
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![BU of 8dj7 by Molmil](/molmil-images/mine/8dj7) | The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin gamma Fc receptor I, Ig gamma-1 Fc chain, ... | 著者 | Lu, J, Sun, P.D. | 登録日 | 2022-06-30 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Fc gamma RI FG-loop functions as a pH sensitive switch for IgG binding and release. Front Immunol, 14, 2023
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8AA7
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![BU of 8aa7 by Molmil](/molmil-images/mine/8aa7) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment | 分子名称: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-06-30 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment To Be Published
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7YBC
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7YB8
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7YB9
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7YBB
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8A9R
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![BU of 8a9r by Molmil](/molmil-images/mine/8a9r) | Tetragonal Hen Egg-White (HEW) Lysozyme soaked in reduced resazurin in a glovebox and flash-cooled using a miniature-airlock | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme | 著者 | van der Linden, P, Engilberge, S, Atta, M, Carpentier, P. | 登録日 | 2022-06-29 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A miniature airlock system to aid the cryo-cooling of protein crystals grown under anoxic conditions J.Appl.Crystallogr., 2022
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8DIQ
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![BU of 8diq by Molmil](/molmil-images/mine/8diq) | Tubulin-RB3_SLD-TTL in complex with SB226 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2022-06-29 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | 主引用文献 | SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis. Cancer Lett., 555, 2022
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8A9P
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![BU of 8a9p by Molmil](/molmil-images/mine/8a9p) | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment | 分子名称: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ... | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-06-29 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment To Be Published
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8DIN
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8DIR
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8A9T
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![BU of 8a9t by Molmil](/molmil-images/mine/8a9t) | Tubulin-[1,2]oxazoloisoindole-1 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | 登録日 | 2022-06-29 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | 主引用文献 | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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8A9Z
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![BU of 8a9z by Molmil](/molmil-images/mine/8a9z) | Tubulin-[1,2]oxazoloisoindole-2e complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | 著者 | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | 登録日 | 2022-06-29 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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7YAE
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![BU of 7yae by Molmil](/molmil-images/mine/7yae) | Octreotide-bound SSTR2-Gi complex | 分子名称: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhao, J, Shao, Z. | 登録日 | 2022-06-28 | 公開日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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8A9E
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![BU of 8a9e by Molmil](/molmil-images/mine/8a9e) | Lysozyme, 9-11 fs FEL pulses as determined by XTCAV | 分子名称: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme | 著者 | Barends, T, Nass, K, Gorel, A, Schlichting, I. | 登録日 | 2022-06-28 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Microcrystallization methods To Be Published
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