6HJJ
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![BU of 6hjj by Molmil](/molmil-images/mine/6hjj) | Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | 分子名称: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | 著者 | Bayliss, R, McIntyre, P.J. | 登録日 | 2018-09-04 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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6I0O
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![BU of 6i0o by Molmil](/molmil-images/mine/6i0o) | Structure of human IMP dehydrogenase, isoform 2, bound to GTP | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, SULFATE ION | 著者 | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | 登録日 | 2018-10-26 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.623 Å) | 主引用文献 | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity. J. Mol. Biol., 431, 2019
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6BLW
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![BU of 6blw by Molmil](/molmil-images/mine/6blw) | |
6BGW
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![BU of 6bgw by Molmil](/molmil-images/mine/6bgw) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | 分子名称: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.644 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BN8
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![BU of 6bn8 by Molmil](/molmil-images/mine/6bn8) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC. | 分子名称: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | 著者 | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | 登録日 | 2017-11-16 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.990035 Å) | 主引用文献 | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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6HT7
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![BU of 6ht7 by Molmil](/molmil-images/mine/6ht7) | Crystal structure of the WT human mitochondrial chaperonin (ADP:BeF3)14 complex | 分子名称: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | 著者 | Jebara, F, Patra, M, Azem, A, Hirsch, J. | 登録日 | 2018-10-03 | 公開日 | 2020-04-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Crystal structure of the WT human mitochondrial football Hsp60-Hsp10(ADPBeFx)14 complex Nat Commun, 2020
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6HVO
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![BU of 6hvo by Molmil](/molmil-images/mine/6hvo) | Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta | 分子名称: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | 著者 | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | 登録日 | 2018-10-11 | 公開日 | 2019-01-23 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA). J.Biol.Chem., 294, 2019
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6I0M
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![BU of 6i0m by Molmil](/molmil-images/mine/6i0m) | Structure of human IMP dehydrogenase, isoform 2, bound to GDP | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, ... | 著者 | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | 登録日 | 2018-10-26 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.567 Å) | 主引用文献 | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity. J. Mol. Biol., 431, 2019
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6I0Z
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![BU of 6i0z by Molmil](/molmil-images/mine/6i0z) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 | 分子名称: | Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide | 著者 | Schuettelkopf, A.W. | 登録日 | 2018-10-27 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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6BNJ
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![BU of 6bnj by Molmil](/molmil-images/mine/6bnj) | Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 分子名称: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Keough, D.T, Rejman, D, Guddat, L.W. | 登録日 | 2017-11-16 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018
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6BH4
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![BU of 6bh4 by Molmil](/molmil-images/mine/6bh4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48) | 分子名称: | 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BYN
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6BH0
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![BU of 6bh0 by Molmil](/molmil-images/mine/6bh0) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51) | 分子名称: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.985 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6C7R
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![BU of 6c7r by Molmil](/molmil-images/mine/6c7r) | BRD4 BD1 in complex with compound CF53 | 分子名称: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
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6BNH
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![BU of 6bnh by Molmil](/molmil-images/mine/6bnh) | Solution NMR structures of BRD4 ET domain with JMJD6 peptide | 分子名称: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | 著者 | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | 登録日 | 2017-11-16 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4. Sci Rep, 7, 2017
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6JMQ
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![BU of 6jmq by Molmil](/molmil-images/mine/6jmq) | LAT1-CD98hc complex bound to MEM-108 Fab | 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, 4F2 cell-surface antigen heavy chain, ... | 著者 | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Nakane, T, Nureki, O. | 登録日 | 2019-03-13 | 公開日 | 2019-06-19 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | 主引用文献 | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc. Nat.Struct.Mol.Biol., 26, 2019
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6JIB
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![BU of 6jib by Molmil](/molmil-images/mine/6jib) | Human MTHFD2 in complex with DS44960156 | 分子名称: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | 著者 | Suzuki, M, Matsui, Y, Kawai, J. | 登録日 | 2019-02-20 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. Acs Med.Chem.Lett., 10, 2019
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6JJ5
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![BU of 6jj5 by Molmil](/molmil-images/mine/6jj5) | BRD4 in complex with 259 | 分子名称: | 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide, Bromodomain-containing protein 4 | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | 登録日 | 2019-02-25 | 公開日 | 2020-02-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | BRD4 in complex with ZZM1 To Be Published
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6BGV
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![BU of 6bgv by Molmil](/molmil-images/mine/6bgv) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.592 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BH5
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![BU of 6bh5 by Molmil](/molmil-images/mine/6bh5) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2017-10-29 | 公開日 | 2018-03-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BU6
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![BU of 6bu6 by Molmil](/molmil-images/mine/6bu6) | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor | 分子名称: | 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol), CHLORIDE ION, GLYCEROL, ... | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Santiago, A.S, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-08 | 公開日 | 2017-12-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor To Be Published
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6BGG
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![BU of 6bgg by Molmil](/molmil-images/mine/6bgg) | Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide | 分子名称: | Bromodomain-containing protein 3, CHD4 | 著者 | Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P. | 登録日 | 2017-10-28 | 公開日 | 2018-03-21 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators. J. Biol. Chem., 293, 2018
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6BN7
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![BU of 6bn7 by Molmil](/molmil-images/mine/6bn7) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC. | 分子名称: | Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... | 著者 | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | 登録日 | 2017-11-16 | 公開日 | 2018-05-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.501 Å) | 主引用文献 | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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6JI4
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![BU of 6ji4 by Molmil](/molmil-images/mine/6ji4) | brd4-bd1 bound with ligand 138 | 分子名称: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | brd4-bd1 bound with ligand 138 To Be Published
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6JIO
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![BU of 6jio by Molmil](/molmil-images/mine/6jio) | Human LXR-beta in complex with a ligand | 分子名称: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | 著者 | Zhang, Z, Zhou, H. | 登録日 | 2019-02-22 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay. Eur.J.Med.Chem., 178, 2019
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