4RF5
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![BU of 4rf5 by Molmil](/molmil-images/mine/4rf5) | Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant | 分子名称: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | 著者 | Tang, Y, Tibrewal, N, Cascio, D. | 登録日 | 2014-09-24 | 公開日 | 2015-09-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | 主引用文献 | Origins of stereoselectivity in evolved ketoreductases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QVC
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![BU of 4qvc by Molmil](/molmil-images/mine/4qvc) | E.coli Hfq in complex with RNA Aus | 分子名称: | RNA (5'-R(*AP*U*AP*AP*CP*UP*A)-3'), RNA-binding protein Hfq | 著者 | Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. | 登録日 | 2014-07-14 | 公開日 | 2015-05-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq Nucleic Acids Res., 43, 2015
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8HJ1
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![BU of 8hj1 by Molmil](/molmil-images/mine/8hj1) | GPR21(wt) and Gs complex | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Chen, B, Lin, X, Xu, F. | 登録日 | 2022-11-22 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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4HVS
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![BU of 4hvs by Molmil](/molmil-images/mine/4hvs) | |
6MJ6
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![BU of 6mj6 by Molmil](/molmil-images/mine/6mj6) | Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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5TTU
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![BU of 5ttu by Molmil](/molmil-images/mine/5ttu) | Jak3 with covalent inhibitor 7 | 分子名称: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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6AUD
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![BU of 6aud by Molmil](/molmil-images/mine/6aud) | PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine | 分子名称: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Ultsch, M. | 登録日 | 2017-08-31 | 公開日 | 2017-11-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles. ACS Med Chem Lett, 8, 2017
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6MJ4
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![BU of 6mj4 by Molmil](/molmil-images/mine/6mj4) | Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MIV
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![BU of 6miv by Molmil](/molmil-images/mine/6miv) | Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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7ZMZ
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![BU of 7zmz by Molmil](/molmil-images/mine/7zmz) | Engineered Interleukin 2 bound to CD25 receptor | 分子名称: | Interleukin-2, Interleukin-2 receptor subunit alpha | 著者 | Fyfe, P.K, Moraga, I, Gaggero, S, Mitra, S. | 登録日 | 2022-04-20 | 公開日 | 2022-12-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | IL-2 is inactivated by the acidic pH environment of tumors enabling engineering of a pH-selective mutein. Sci Immunol, 7, 2022
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8I6V
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![BU of 8i6v by Molmil](/molmil-images/mine/8i6v) | Cryo-EM structure of the polyphosphate polymerase VTC complex(Vtc4/Vtc3/Vtc1) | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, MANGANESE (II) ION, PHOSPHATE ION, ... | 著者 | Mayer, A, Wu, S, Ye, S. | 登録日 | 2023-01-29 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | Cryo-EM structure of the polyphosphate polymerase VTC reveals coupling of polymer synthesis to membrane transit. Embo J., 42, 2023
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6MJA
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![BU of 6mja by Molmil](/molmil-images/mine/6mja) | Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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4HW7
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![BU of 4hw7 by Molmil](/molmil-images/mine/4hw7) | |
6MJQ
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![BU of 6mjq by Molmil](/molmil-images/mine/6mjq) | Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-21 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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5TTV
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![BU of 5ttv by Molmil](/molmil-images/mine/5ttv) | Jak3 with covalent inhibitor 6 | 分子名称: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTS
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![BU of 5tts by Molmil](/molmil-images/mine/5tts) | Jak3 with covalent inhibitor 4 | 分子名称: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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4LWV
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![BU of 4lwv by Molmil](/molmil-images/mine/4lwv) | The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353 | 分子名称: | (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Graves, B.J, Lukacs, C, Janson, C.A. | 登録日 | 2013-07-28 | 公開日 | 2014-07-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development. ACS MED.CHEM.LETT., 5, 2014
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6MJI
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![BU of 6mji by Molmil](/molmil-images/mine/6mji) | Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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8I8Y
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![BU of 8i8y by Molmil](/molmil-images/mine/8i8y) | A mutant of the C-terminal complex of proteins 4.1G and NuMA | 分子名称: | Engineered protein | 著者 | Hu, X. | 登録日 | 2023-02-06 | 公開日 | 2023-04-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain. Proc.Natl.Acad.Sci.USA, 120, 2023
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6MIY
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![BU of 6miy by Molmil](/molmil-images/mine/6miy) | Crystal structure of the mCD1d/xxa (JJ239)/iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-20 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJJ
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![BU of 6mjj by Molmil](/molmil-images/mine/6mjj) | Crystal structure of the mCD1d/xxm (JJ290) /iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Bitra, A, Janssens, J. | 登録日 | 2018-09-21 | 公開日 | 2019-01-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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3N2R
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![BU of 3n2r by Molmil](/molmil-images/mine/3n2r) | Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2010-05-18 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 18, 2010
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7EAG
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![BU of 7eag by Molmil](/molmil-images/mine/7eag) | Crystal structure of the RAGATH-18 k-turn | 分子名称: | RNA (5'-R(*GP*UP*CP*UP*AP*UP*GP*AP*AP*GP*GP*CP*UP*GP*GP*AP*GP*AP*C)-3') | 著者 | Huang, L, Lilley, D.M.J. | 登録日 | 2021-03-07 | 公開日 | 2021-06-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules. Nucleic Acids Res., 49, 2021
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7EAF
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![BU of 7eaf by Molmil](/molmil-images/mine/7eaf) | |
7JTM
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![BU of 7jtm by Molmil](/molmil-images/mine/7jtm) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST | 分子名称: | Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | 著者 | Sack, J.S. | 登録日 | 2020-08-18 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020
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