8E3N
 
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S | | 分子名称: | Nuclear receptor subfamily 1 group I member 2, Rifamycin S | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T. | | 登録日 | 2022-08-17 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EQZ
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | | 分子名称: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | | 登録日 | 2022-10-11 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8F5Y
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | | 分子名称: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | | 登録日 | 2022-11-15 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
|
|
8FPE
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | | 分子名称: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | | 登録日 | 2023-01-04 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
4PHM
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | | 分子名称: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1 | | 著者 | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B. | | 登録日 | 2014-05-06 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
|
|
4PHK
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids. The complex with (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid | | 分子名称: | (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid, CALCIUM ION, Calpain small subunit 1 | | 著者 | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B, Robinson, E. | | 登録日 | 2014-05-06 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
|
|
4PHN
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | | 分子名称: | CALCIUM ION, Calpain small subunit 1 | | 著者 | Allemann, R.K, Rizkallah, P.J, Adams, S.E, Miller, D.J, Hallett, M.B. | | 登録日 | 2014-05-06 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
|
|
4PHJ
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids: Human unliganded protein | | 分子名称: | CALCIUM ION, Calpain small subunit 1 | | 著者 | Adams, S.E, Rizkallah, P.J, Allemann, R.K, Miller, D.J, Hallett, M.B, Robinson, E. | | 登録日 | 2014-05-06 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
|
|
4RG7
 | |
4RG6
 | | Crystal structure of APC3-APC16 complex | | 分子名称: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | | 著者 | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | | 登録日 | 2014-09-29 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
|
|
4R32
 | | Crystal Structure Analysis of Pyk2 and Paxillin LD motifs | | 分子名称: | Paxillin, Protein-tyrosine kinase 2-beta | | 著者 | Vanarotti, M, Miller, D.J, Guibao, C.D, Nourse, A, Zheng, J.J. | | 登録日 | 2014-08-13 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.505 Å) | | 主引用文献 | Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs.
J.Mol.Biol., 426, 2014
|
|
4RG9
 | | Crystal structure of APC3-APC16 complex (Selenomethionine Derivative) | | 分子名称: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | | 著者 | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | | 登録日 | 2014-09-29 | | 公開日 | 2014-12-24 | | 最終更新日 | 2017-08-02 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
|
|
3IVQ
 | | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-CiSBC2 | | 分子名称: | CiSBC2, Speckle-type POZ protein | | 著者 | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | | 登録日 | 2009-09-01 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases.
Mol.Cell, 36, 2009
|
|
3IVV
 | | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-PucSBC1_pep1 | | 分子名称: | PucSBC1, Speckle-type POZ protein | | 著者 | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | | 登録日 | 2009-09-01 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases.
Mol.Cell, 36, 2009
|
|
3IVB
 | | Structures of SPOP-Substrate Complexes: Insights into Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-MacroH2ASBCpep1 | | 分子名称: | CHLORIDE ION, Core histone macro-H2A.1, Speckle-type POZ protein, ... | | 著者 | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | | 登録日 | 2009-08-31 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure 9
To be Published
|
|
7N00
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 648-1025 in complex with AUG-alpha | | 分子名称: | ALK and LTK ligand 2, ALK tyrosine kinase receptor | | 著者 | Reshetnyak, A.V, Myasnikov, A.G, Rossi, P, Miller, D.J, Kalodimos, C.G. | | 登録日 | 2021-05-24 | | 公開日 | 2021-11-24 | | 最終更新日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.27 Å) | | 主引用文献 | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
|
|
7MZY
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986 | | 分子名称: | ACETATE ION, ALK tyrosine kinase receptor | | 著者 | Reshetnyak, A.V, Sowaileh, M, Miller, D.J, Rossi, P, Myasnikov, A.G, Kalodimos, C.G. | | 登録日 | 2021-05-24 | | 公開日 | 2021-11-24 | | 最終更新日 | 2021-12-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
|
|
3CKE
 | | Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate | | 分子名称: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | | 著者 | Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W. | | 登録日 | 2008-03-14 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis.
J.Biol.Chem., 283, 2008
|
|
3G4D
 | | Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | | 分子名称: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | | 著者 | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | | 登録日 | 2009-02-03 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | | 主引用文献 | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
|
|
2AQ7
 | | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | | 分子名称: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | 著者 | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | 登録日 | 2005-08-17 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
|
|
2AQB
 | | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | | 分子名称: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | 著者 | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | 登録日 | 2005-08-17 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
|
|
7N9G
 | | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | | 著者 | Miller, D.J, Xie, T. | | 登録日 | 2021-06-17 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Imatinib can act as an Allosteric Activator of Abl Kinase.
J.Mol.Biol., 434, 2022
|
|
5I1U
 | |
3ONG
 | | Crystal structure of UBA2ufd-Ubc9: insights into E1-E2 interactions in Sumo pathways | | 分子名称: | SUMO-conjugating enzyme UBC9, Ubiquitin-activating enzyme E1-like | | 著者 | Wang, J, Taherbhoy, A.M, Hunt, H.W, Seyedin, S.N, Miller, D.W, Huang, D.T, Schulman, B.A. | | 登録日 | 2010-08-28 | | 公開日 | 2011-01-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of UBA2(ufd)-Ubc9: insights into E1-E2 interactions in Sumo pathways.
Plos One, 5, 2010
|
|
3ONH
 | | Crystal structure of UBA2ufd-Ubc9: insights into E1-E2 interactions in Sumo pathways | | 分子名称: | Ubiquitin-activating enzyme E1-like | | 著者 | Wang, J, Taherbhoy, A.M, Hunt, H.W, Seyedin, S.N, Miller, D.W, Huang, D.T, Schulman, B.A. | | 登録日 | 2010-08-28 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Crystal structure of UBA2(ufd)-Ubc9: insights into E1-E2 interactions in Sumo pathways.
Plos One, 5, 2010
|
|
