6Q7E
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![BU of 6q7e by Molmil](/molmil-images/mine/6q7e) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.059 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7F
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![BU of 6q7f by Molmil](/molmil-images/mine/6q7f) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | 分子名称: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.204 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7C
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![BU of 6q7c by Molmil](/molmil-images/mine/6q7c) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7D
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![BU of 6q7d by Molmil](/molmil-images/mine/6q7d) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | 分子名称: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.978 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6Q7G
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![BU of 6q7g by Molmil](/molmil-images/mine/6q7g) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | 分子名称: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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7B67
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![BU of 7b67 by Molmil](/molmil-images/mine/7b67) | Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B65
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![BU of 7b65 by Molmil](/molmil-images/mine/7b65) | Structure of NUDT15 R139C Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B63
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![BU of 7b63 by Molmil](/molmil-images/mine/7b63) | Structure of NUDT15 in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B66
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![BU of 7b66 by Molmil](/molmil-images/mine/7b66) | Structure of NUDT15 R139H Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B64
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![BU of 7b64 by Molmil](/molmil-images/mine/7b64) | Structure of NUDT15 V18I Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B7V
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![BU of 7b7v by Molmil](/molmil-images/mine/7b7v) | |
7AOP
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![BU of 7aop by Molmil](/molmil-images/mine/7aop) | Structure of NUDT15 in complex with inhibitor TH8321 | 分子名称: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | 登録日 | 2020-10-14 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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7AOM
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![BU of 7aom by Molmil](/molmil-images/mine/7aom) | Structure of NUDT15 in complex with Ganciclovir triphosphate | 分子名称: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | 登録日 | 2020-10-14 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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4Y9M
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![BU of 4y9m by Molmil](/molmil-images/mine/4y9m) | PA3825-EAL Metal-Free-Apo Structure | 分子名称: | PA3825-EAL, PHOSPHATE ION | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | 登録日 | 2015-02-17 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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4Y9O
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![BU of 4y9o by Molmil](/molmil-images/mine/4y9o) | PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation | 分子名称: | PA3825-EAL, PHOSPHATE ION | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | 登録日 | 2015-02-17 | 公開日 | 2016-09-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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4Y9N
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![BU of 4y9n by Molmil](/molmil-images/mine/4y9n) | PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation | 分子名称: | PA3825-EAL, PHOSPHATE ION | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | 登録日 | 2015-02-17 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains To Be Published
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4Y9P
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![BU of 4y9p by Molmil](/molmil-images/mine/4y9p) | PA3825-EAL Ca-CdG Structure | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | 登録日 | 2015-02-17 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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6YPC
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![BU of 6ypc by Molmil](/molmil-images/mine/6ypc) | Crystal structure of the kinetochore subunits H/I/K/T/W penta-complex from S. cerevisiae at 2.9 angstroms | 分子名称: | Inner kinetochore subunit CNN1, Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, ... | 著者 | Bellini, D, Zhang, Z, Barford, D. | 登録日 | 2020-04-15 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of the Cenp-HIKHead-TW sub-module of the inner kinetochore CCAN complex. Nucleic Acids Res., 48, 2020
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6HL1
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![BU of 6hl1 by Molmil](/molmil-images/mine/6hl1) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | 分子名称: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2018-09-10 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HL0
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![BU of 6hl0 by Molmil](/molmil-images/mine/6hl0) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | 分子名称: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2018-09-10 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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5NJZ
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![BU of 5njz by Molmil](/molmil-images/mine/5njz) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.768 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK1
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![BU of 5nk1 by Molmil](/molmil-images/mine/5nk1) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k | 分子名称: | 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.548 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK6
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![BU of 5nk6 by Molmil](/molmil-images/mine/5nk6) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.267 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK2
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![BU of 5nk2 by Molmil](/molmil-images/mine/5nk2) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKA
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![BU of 5nka by Molmil](/molmil-images/mine/5nka) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g | 分子名称: | 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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