6DJ9
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![BU of 6dj9 by Molmil](/molmil-images/mine/6dj9) | Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV) | 分子名称: | Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15 | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | 登録日 | 2018-05-24 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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6ML1
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![BU of 6ml1 by Molmil](/molmil-images/mine/6ml1) | Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | 登録日 | 2018-09-26 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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6CRN
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![BU of 6crn by Molmil](/molmil-images/mine/6crn) | Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | 登録日 | 2018-03-19 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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6CPM
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![BU of 6cpm by Molmil](/molmil-images/mine/6cpm) | Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | 登録日 | 2018-03-13 | 公開日 | 2019-01-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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1YWI
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![BU of 1ywi by Molmil](/molmil-images/mine/1ywi) | Structure of the FBP11WW1 domain complexed to the peptide APPTPPPLPP | 分子名称: | Formin, Formin-binding protein 3 | 著者 | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | 登録日 | 2005-02-18 | 公開日 | 2005-04-12 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain. J.Mol.Biol., 348, 2005
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1YWJ
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![BU of 1ywj by Molmil](/molmil-images/mine/1ywj) | Structure of the FBP11WW1 domain | 分子名称: | Formin-binding protein 3 | 著者 | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | 登録日 | 2005-02-18 | 公開日 | 2005-04-12 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain. J.Mol.Biol., 348, 2005
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5LAW
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![BU of 5law by Molmil](/molmil-images/mine/5law) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | 分子名称: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAZ
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![BU of 5laz by Molmil](/molmil-images/mine/5laz) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252 | 分子名称: | 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAV
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![BU of 5lav by Molmil](/molmil-images/mine/5lav) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b | 分子名称: | (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAY
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![BU of 5lay by Molmil](/molmil-images/mine/5lay) | Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | 分子名称: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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8B9O
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![BU of 8b9o by Molmil](/molmil-images/mine/8b9o) | |
8B9U
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5K3Y
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![BU of 5k3y by Molmil](/molmil-images/mine/5k3y) | Crystal structure of AuroraB/INCENP in complex with BI 811283 | 分子名称: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | 著者 | Bader, G, Zahn, S.K, Zoephel, A. | 登録日 | 2016-05-20 | 公開日 | 2016-08-17 | 最終更新日 | 2022-12-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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6HR2
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![BU of 6hr2 by Molmil](/molmil-images/mine/6hr2) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | 登録日 | 2018-09-26 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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6HAY
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![BU of 6hay by Molmil](/molmil-images/mine/6hay) | Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | 登録日 | 2018-08-09 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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6HAX
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![BU of 6hax by Molmil](/molmil-images/mine/6hax) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | 登録日 | 2018-08-09 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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6HAZ
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![BU of 6haz by Molmil](/molmil-images/mine/6haz) | Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand | 分子名称: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION | 著者 | Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A. | 登録日 | 2018-08-09 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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5EU1
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![BU of 5eu1 by Molmil](/molmil-images/mine/5eu1) | CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | 分子名称: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | 著者 | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-18 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5EYK
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![BU of 5eyk by Molmil](/molmil-images/mine/5eyk) | CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325 | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A | 著者 | Bader, G, Zoephel, A. | 登録日 | 2015-11-25 | 公開日 | 2016-08-17 | 最終更新日 | 2016-10-19 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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5F2P
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![BU of 5f2p by Molmil](/molmil-images/mine/5f2p) | Crystal structure of the BRD9 bromodomain in complex with compound 3. | 分子名称: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | 著者 | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5F25
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![BU of 5f25 by Molmil](/molmil-images/mine/5f25) | Crystal structure of the BRD9 bromodomain in complex with compound 4. | 分子名称: | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-12-01 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5F1H
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![BU of 5f1h by Molmil](/molmil-images/mine/5f1h) | Crystal structure of the BRD9 bromodamian in complex with BI-9564. | 分子名称: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5F1L
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![BU of 5f1l by Molmil](/molmil-images/mine/5f1l) | Crystal structure of the bromodomain of BRD9 in complex with compound 9. | 分子名称: | 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5EYM
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![BU of 5eym by Molmil](/molmil-images/mine/5eym) | MEK1 IN COMPLEX WITH BI 847325 | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | 著者 | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | 登録日 | 2015-11-25 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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5TXK
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![BU of 5txk by Molmil](/molmil-images/mine/5txk) | CRYSTAL STRUCTURE OF USP35 C450S IN COMPLEX WITH UBIQUITIN | 分子名称: | 1,2-ETHANEDIOL, Polyubiquitin-B, SULFATE ION, ... | 著者 | Bader, G, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2016-11-17 | 公開日 | 2018-05-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Expansion of DUB functionality generated by alternative isoforms - USP35, a case study. J. Cell. Sci., 131, 2018
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