3U3F
| Structural basis for the interaction of Pyk2 PAT domain with paxillin LD motifs | Descriptor: | Paxillin LD2 peptide, Protein-tyrosine kinase 2-beta | Authors: | Vanarotti, M, Miller, D.J, Guibao, C.C, Zheng, J.J. | Deposit date: | 2011-10-05 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs. J.Mol.Biol., 426, 2014
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5UTO
| The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution | Descriptor: | EDD domain protein, DegV family, PALMITIC ACID | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O. | Deposit date: | 2017-02-15 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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8E3N
| Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S | Descriptor: | Nuclear receptor subfamily 1 group I member 2, Rifamycin S | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T. | Deposit date: | 2022-08-17 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EQZ
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2022-10-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8F5Y
| Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | Descriptor: | (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 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | Deposit date: | 2022-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
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7RYW
| Crystal structure of Ferritin grown by the microbatch method in the presence of Agarose | Descriptor: | CADMIUM ION, Ferritin light chain, SULFATE ION | Authors: | Aditya, S, Priyadharshine, R, Maham, I, Miller, D.J, Stojanoff, V. | Deposit date: | 2021-08-26 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of Ferritin grown by microbatch method in the presence of agarose To Be Published
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7N00
| Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 648-1025 in complex with AUG-alpha | Descriptor: | ALK and LTK ligand 2, ALK tyrosine kinase receptor | Authors: | Reshetnyak, A.V, Myasnikov, A.G, Rossi, P, Miller, D.J, Kalodimos, C.G. | Deposit date: | 2021-05-24 | Release date: | 2021-11-24 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor. Nature, 600, 2021
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7MZY
| Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986 | Descriptor: | ACETATE ION, ALK tyrosine kinase receptor | Authors: | Reshetnyak, A.V, Sowaileh, M, Miller, D.J, Rossi, P, Myasnikov, A.G, Kalodimos, C.G. | Deposit date: | 2021-05-24 | Release date: | 2021-11-24 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor. Nature, 600, 2021
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3CKE
| Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | Authors: | 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. | Deposit date: | 2008-03-14 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis. J.Biol.Chem., 283, 2008
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3G4D
| Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | Descriptor: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | Authors: | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | Deposit date: | 2009-02-03 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry, 48, 2009
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3IVQ
| Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-CiSBC2 | Descriptor: | CiSBC2, Speckle-type POZ protein | Authors: | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | Deposit date: | 2009-09-01 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases. Mol.Cell, 36, 2009
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3IVV
| Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-PucSBC1_pep1 | Descriptor: | PucSBC1, Speckle-type POZ protein | Authors: | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | Deposit date: | 2009-09-01 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases. Mol.Cell, 36, 2009
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3IVB
| Structures of SPOP-Substrate Complexes: Insights into Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-MacroH2ASBCpep1 | Descriptor: | CHLORIDE ION, Core histone macro-H2A.1, Speckle-type POZ protein, ... | Authors: | Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. | Deposit date: | 2009-08-31 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure 9 To be Published
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4PHM
| The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | Descriptor: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1 | Authors: | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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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 | Descriptor: | (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid, CALCIUM ION, Calpain small subunit 1 | Authors: | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B, Robinson, E. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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4PHN
| The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | Descriptor: | CALCIUM ION, Calpain small subunit 1 | Authors: | Allemann, R.K, Rizkallah, P.J, Adams, S.E, Miller, D.J, Hallett, M.B. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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4PHJ
| The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids: Human unliganded protein | Descriptor: | CALCIUM ION, Calpain small subunit 1 | Authors: | Adams, S.E, Rizkallah, P.J, Allemann, R.K, Miller, D.J, Hallett, M.B, Robinson, E. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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4RG7
| Crystal structure of APC3 | Descriptor: | Cell division cycle protein 27 homolog | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome. J.Mol.Biol., 427, 2015
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4R32
| Crystal Structure Analysis of Pyk2 and Paxillin LD motifs | Descriptor: | Paxillin, Protein-tyrosine kinase 2-beta | Authors: | Vanarotti, M, Miller, D.J, Guibao, C.D, Nourse, A, Zheng, J.J. | Deposit date: | 2014-08-13 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.505 Å) | Cite: | Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs. J.Mol.Biol., 426, 2014
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4RG9
| Crystal structure of APC3-APC16 complex (Selenomethionine Derivative) | Descriptor: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome. J.Mol.Biol., 427, 2015
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4RG6
| Crystal structure of APC3-APC16 complex | Descriptor: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome. J.Mol.Biol., 427, 2015
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7N9G
| Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | Descriptor: | 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, ... | Authors: | Miller, D.J, Xie, T. | Deposit date: | 2021-06-17 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase. J.Mol.Biol., 434, 2022
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5VZ2
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5W18
| Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2017-06-02 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ureadepsipeptides as ClpP Activators. Acs Infect Dis., 2019
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5I1U
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