7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | 分子名称: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | 著者 | Cierpicki, T, Lund, G, Jaremko, L. | 登録日 | 2021-01-29 | 公開日 | 2021-06-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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5YIM
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4RKH
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![BU of 4rkh by Molmil](/molmil-images/mine/4rkh) | Structure of the MSL2 CXC domain bound with a specific MRE sequence | 分子名称: | DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ... | 著者 | Zheng, S, Ye, K. | 登録日 | 2014-10-13 | 公開日 | 2015-01-21 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation. Genes Dev., 28, 2014
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5T92
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![BU of 5t92 by Molmil](/molmil-images/mine/5t92) | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | 分子名称: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | 著者 | Kirby, C, Baird, J. | 登録日 | 2016-09-09 | 公開日 | 2017-03-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
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5T97
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![BU of 5t97 by Molmil](/molmil-images/mine/5t97) | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | 分子名称: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | 著者 | Kirby, C.A, Baird, J. | 登録日 | 2016-09-09 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
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1YYB
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5YIJ
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![BU of 5yij by Molmil](/molmil-images/mine/5yij) | Structure of a Legionella effector with substrates | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin | 著者 | Feng, Y, Mu, Y, Wang, H. | 登録日 | 2017-10-05 | 公開日 | 2018-05-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
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5V84
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![BU of 5v84 by Molmil](/molmil-images/mine/5v84) | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | 分子名称: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | 著者 | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | 登録日 | 2017-03-21 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett, 8, 2017
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5WTK
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![BU of 5wtk by Molmil](/molmil-images/mine/5wtk) | Crystal structure of RNP complex | 分子名称: | CRISPR-associated endoribonuclease C2c2, RNA (58-MER) | 著者 | Liu, L, Wang, Y. | 登録日 | 2016-12-13 | 公開日 | 2017-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities Cell, 168, 2017
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6BPP
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![BU of 6bpp by Molmil](/molmil-images/mine/6bpp) | E. coli MsbA in complex with LPS and inhibitor G092 | 分子名称: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | 著者 | Ho, H, Koth, C.M, Payandeh, J. | 登録日 | 2017-11-24 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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4KXF
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6B2Q
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![BU of 6b2q by Molmil](/molmil-images/mine/6b2q) | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | 分子名称: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | 著者 | Zuccola, H.J. | 登録日 | 2017-09-20 | 公開日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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4OV9
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![BU of 4ov9 by Molmil](/molmil-images/mine/4ov9) | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | 分子名称: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | 登録日 | 2014-02-20 | 公開日 | 2014-08-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
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2ES3
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2OUJ
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2OUH
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![BU of 2ouh by Molmil](/molmil-images/mine/2ouh) | Crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP10 | 分子名称: | SULFATE ION, Thrombospondin-1 | 著者 | Tan, K, Joachimiak, A, Wang, J, Lawler, J. | 登録日 | 2007-02-11 | 公開日 | 2008-01-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain. J.Biol.Chem., 283, 2008
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8K8J
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![BU of 8k8j by Molmil](/molmil-images/mine/8k8j) | Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 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 | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | 登録日 | 2023-07-30 | 公開日 | 2024-02-14 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1. Adv Sci, 11, 2024
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8JPP
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![BU of 8jpp by Molmil](/molmil-images/mine/8jpp) | Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq | 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 | Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y. | 登録日 | 2023-06-12 | 公開日 | 2024-05-22 | 最終更新日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1. Cell Res., 34, 2024
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8JPN
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![BU of 8jpn by Molmil](/molmil-images/mine/8jpn) | Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi | 分子名称: | (2R,3S)-oxirane-2,3-dicarboxylic acid, 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, ... | 著者 | Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y. | 登録日 | 2023-06-12 | 公開日 | 2024-05-22 | 最終更新日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1. Cell Res., 34, 2024
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5YUD
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![BU of 5yud by Molmil](/molmil-images/mine/5yud) | Flagellin derivative in complex with the NLR protein NAIP5 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e, Phase 2 flagellin,Flagellin | 著者 | Yang, X.R, Yang, F, Wang, W.G, Lin, G.Z. | 登録日 | 2017-11-21 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.28 Å) | 主引用文献 | Structural basis for specific flagellin recognition by the NLR protein NAIP5. Cell Res., 28, 2018
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5I40
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![BU of 5i40 by Molmil](/molmil-images/mine/5i40) | BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | 分子名称: | 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ... | 著者 | Murray, J.M. | 登録日 | 2016-02-11 | 公開日 | 2016-10-12 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.0402 Å) | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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6JEA
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![BU of 6jea by Molmil](/molmil-images/mine/6jea) | crystal structure of a beta-N-acetylhexosaminidase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION | 著者 | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | 登録日 | 2019-02-04 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.275 Å) | 主引用文献 | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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5DO7
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![BU of 5do7 by Molmil](/molmil-images/mine/5do7) | Crystal Structure of the Human Sterol Transporter ABCG5/ABCG8 | 分子名称: | ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8 | 著者 | Lee, J.-Y, Kinch, L.N, Borek, D.M, Urbatsch, I.L, Xie, X.-S, Grishin, N.V, Cohen, J.C, Otwinowski, Z, Hobbs, H.H, Rosenbaum, D.M. | 登録日 | 2015-09-10 | 公開日 | 2016-05-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.93 Å) | 主引用文献 | Crystal structure of the human sterol transporter ABCG5/ABCG8. Nature, 533, 2016
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6JE8
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![BU of 6je8 by Molmil](/molmil-images/mine/6je8) | crystal structure of a beta-N-acetylhexosaminidase | 分子名称: | Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ... | 著者 | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | 登録日 | 2019-02-04 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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5I1Q
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![BU of 5i1q by Molmil](/molmil-images/mine/5i1q) | Second bromodomain of TAF1 bound to a pyrrolopyridone compound | 分子名称: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | 著者 | Tang, Y, Poy, F, Bellon, S.F. | 登録日 | 2016-01-09 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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