8D8I
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![BU of 8d8i by Molmil](/molmil-images/mine/8d8i) | Crystal structure of Reverb alpha in complex with synthetic agonist | 分子名称: | (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1 | 著者 | Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T. | 登録日 | 2022-06-08 | 公開日 | 2022-12-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | 主引用文献 | Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB. Nat Commun, 13, 2022
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6FXL
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6FXW
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6FXS
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5NFA
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![BU of 5nfa by Molmil](/molmil-images/mine/5nfa) | Structure of Galectin-3 CRD in complex with compound 3 | 分子名称: | 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine, Galectin-3 | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | 登録日 | 2017-03-13 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NFB
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![BU of 5nfb by Molmil](/molmil-images/mine/5nfb) | Structure of Galectin-3 CRD in complex with compound 4 | 分子名称: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | 登録日 | 2017-03-13 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NF9
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![BU of 5nf9 by Molmil](/molmil-images/mine/5nf9) | Structure of Galectin-3 CRD in complex with compound 2 | 分子名称: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | 登録日 | 2017-03-13 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NF7
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![BU of 5nf7 by Molmil](/molmil-images/mine/5nf7) | Structure of Galectin-3 CRD in complex with compound 1 | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Pilard, F.D, Teletchea, S, Ciesielski, F, Hannah, V.V, Grandjean, C. | 登録日 | 2017-03-13 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NFC
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![BU of 5nfc by Molmil](/molmil-images/mine/5nfc) | Structure of Galectin-3 CRD in complex with glycerol | 分子名称: | GLYCEROL, Galectin-3 | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | 登録日 | 2017-03-13 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5OL0
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![BU of 5ol0 by Molmil](/molmil-images/mine/5ol0) | Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide | 分子名称: | Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION | 著者 | Ronin, C, Ciesielski, F, Ciapetti, P. | 登録日 | 2017-07-26 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design. PLoS ONE, 13, 2018
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4TWP
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![BU of 4twp by Molmil](/molmil-images/mine/4twp) | The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib | 分子名称: | AXITINIB, NICKEL (II) ION, SODIUM ION, ... | 著者 | Johnson, E, McTigue, M, Cronin, C.N. | 登録日 | 2014-07-01 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
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6NFY
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![BU of 6nfy by Molmil](/molmil-images/mine/6nfy) | Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state. | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | 著者 | Johnson, E, McTigue, M, Cronin, C.N. | 登録日 | 2018-12-21 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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6NFZ
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![BU of 6nfz by Molmil](/molmil-images/mine/6nfz) | Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active state. | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | 著者 | Johnson, E, McTigue, M, Cronin, C.N. | 登録日 | 2018-12-21 | 公開日 | 2019-05-01 | 最終更新日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | 主引用文献 | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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6NG0
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![BU of 6ng0 by Molmil](/molmil-images/mine/6ng0) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state. | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | 著者 | Johnson, E, McTigue, M, Cronin, C.N. | 登録日 | 2018-12-21 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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1PKG
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![BU of 1pkg by Molmil](/molmil-images/mine/1pkg) | Structure of a c-Kit Kinase Product Complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, c-kit protein | 著者 | Mol, C.D, Lim, K.B, Sridhar, V, Zou, H, Chien, E.Y.T, Sang, B.-C, Nowakowski, J, Kassel, D.B, Cronin, C.N, McRee, D.E. | 登録日 | 2003-06-05 | 公開日 | 2003-08-12 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of a c-Kit Product Complex Reveals the Basis for Kinase Transactivation. J.Biol.Chem., 278, 2003
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4WA9
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6CZ3
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![BU of 6cz3 by Molmil](/molmil-images/mine/6cz3) | Structure of the PTK6 kinase domain bound to a type I inhibitor (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | 分子名称: | (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, ACETATE ION, POTASSIUM ION, ... | 著者 | Gajiwala, K.S, Johnson, E, Cronin, C.N. | 登録日 | 2018-04-07 | 公開日 | 2018-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE, 13, 2018
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6CZ4
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![BU of 6cz4 by Molmil](/molmil-images/mine/6cz4) | Structure of the PTK6 kinase domain bound to a type II inhibitor 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | 分子名称: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, Protein-tyrosine kinase 6 | 著者 | Gajiwala, K.S, Johnson, E, Cronin, C.N. | 登録日 | 2018-04-07 | 公開日 | 2018-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE, 13, 2018
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1DII
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![BU of 1dii by Molmil](/molmil-images/mine/1dii) | CRYSTAL STRUCTURE OF P-CRESOL METHYLHYDROXYLASE AT 2.5 A RESOLUTION | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, HEME C, ... | 著者 | Cunane, L.M, Chen, Z.W, Shamala, N, Mathews, F.S, Cronin, C.N, McIntire, W.S. | 登録日 | 1999-11-29 | 公開日 | 1999-12-08 | 最終更新日 | 2021-03-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of the flavocytochrome p-cresol methylhydroxylase and its enzyme-substrate complex: gated substrate entry and proton relays support the proposed catalytic mechanism. J.Mol.Biol., 295, 2000
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8FJZ
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![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-20 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FH4
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![BU of 8fh4 by Molmil](/molmil-images/mine/8fh4) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-13 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FKO
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![BU of 8fko by Molmil](/molmil-images/mine/8fko) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-21 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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6CZ2
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1MP8
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![BU of 1mp8 by Molmil](/molmil-images/mine/1mp8) | Crystal structure of Focal Adhesion Kinase (FAK) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, focal adhesion kinase 1 | 著者 | Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C.G, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A. | 登録日 | 2002-09-11 | 公開日 | 2003-09-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography Structure, 10, 2002
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1MQ4
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![BU of 1mq4 by Molmil](/molmil-images/mine/1mq4) | Crystal Structure of Aurora-A Protein Kinase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, AURORA-RELATED KINASE 1, MAGNESIUM ION, ... | 著者 | Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A. | 登録日 | 2002-09-13 | 公開日 | 2003-09-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography Structure, 10, 2002
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