5UDH
| HHARI/ARIH1-UBCH7~Ubiquitin | Descriptor: | E3 ubiquitin-protein ligase ARIH1, Ubiquitin C variant, Ubiquitin-conjugating enzyme E2 L3, ... | Authors: | Miller, D.J, Schulman, B.A. | Deposit date: | 2016-12-27 | Release date: | 2017-06-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structural Studies of HHARI/UbcH7Ub Reveal Unique E2Ub Conformational Restriction by RBR RING1. Structure, 25, 2017
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6ASR
| REV1 UBM2 domain complex with ubiquitin | Descriptor: | DNA repair protein REV1, NICKEL (II) ION, Ubiquitin | Authors: | Miller, D.J. | Deposit date: | 2017-08-25 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction. J. Mol. Biol., 430, 2018
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5D69
| Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound | Descriptor: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], CALCIUM ION, Calpain small subunit 1, ... | Authors: | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | Deposit date: | 2015-08-11 | Release date: | 2015-09-02 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Conformationally restricted calpain inhibitors. Chem Sci, 6, 2015
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4WQ2
| Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound | Descriptor: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Adams, S.E, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | Deposit date: | 2014-10-21 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Conformationally restricted calpain inhibitors. Chem Sci, 6, 2015
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4WQ3
| Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-bromoindol-3-yl)acrylic acid) bound | Descriptor: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, CALCIUM ION, Calpain small subunit 1 | Authors: | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | Deposit date: | 2014-10-21 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Conformationally restricted calpain inhibitors. Chem Sci, 6, 2015
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4X9X
| Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family | Descriptor: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | Authors: | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | Deposit date: | 2014-12-11 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family. J.Biol.Chem., 291, 2016
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7U7H
| Cysteate acyl-ACP transferase from Alistipes finegoldii | Descriptor: | 7-keto-8-aminopelargonate synthetase-like enzyme, PYRIDOXAL-5'-PHOSPHATE | Authors: | Radka, C.D, Miller, D.J, Frank, M.W, Rock, C.O. | Deposit date: | 2022-03-07 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Biochemical characterization of the first step in sulfonolipid biosynthesis in Alistipes finegoldii. J.Biol.Chem., 298, 2022
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4GAO
| DCNL complex with N-terminally acetylated NEDD8 E2 peptide | Descriptor: | BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12 | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | Deposit date: | 2012-07-25 | Release date: | 2012-11-28 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes. Structure, 21, 2013
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4GBA
| DCNL complex with N-terminally acetylated NEDD8 E2 peptide | Descriptor: | DCN1-like protein 3, NEDD8-conjugating enzyme UBE2F | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | Deposit date: | 2012-07-26 | Release date: | 2012-11-28 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes. Structure, 21, 2013
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8SZV
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | Deposit date: | 2023-05-30 | Release date: | 2023-10-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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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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5JG6
| APC11-Ubv shows role of noncovalent RING-Ubiquitin interactions in processive multiubiquitination and Ubiquitin chain elongation by APC/C | Descriptor: | Anaphase-promoting complex subunit 11, Polyubiquitin-B, ZINC ION | Authors: | Brown, N.G, Zhang, W, Yu, S, Miller, D.J, Sidhu, S.S, Schulman, B.A. | Deposit date: | 2016-04-19 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0013 Å) | Cite: | Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. Cell, 165, 2016
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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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2BAS
| Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain. | Descriptor: | BETA-MERCAPTOETHANOL, YkuI protein | Authors: | Minasov, G, Brunzelle, J.S, Shuvalova, L, Miller, D.J, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-10-14 | Release date: | 2005-11-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structures of YkuI and its complex with second messenger cyclic Di-GMP suggest catalytic mechanism of phosphodiester bond cleavage by EAL domains. J.Biol.Chem., 284, 2009
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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 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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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 | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | 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. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | 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
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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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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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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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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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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: | 2017-09-13 | 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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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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