5UDH
| HHARI/ARIH1-UBCH7~Ubiquitin | 分子名称: | E3 ubiquitin-protein ligase ARIH1, Ubiquitin C variant, Ubiquitin-conjugating enzyme E2 L3, ... | 著者 | Miller, D.J, Schulman, B.A. | 登録日 | 2016-12-27 | 公開日 | 2017-06-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | 主引用文献 | 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 | 分子名称: | DNA repair protein REV1, NICKEL (II) ION, Ubiquitin | 著者 | Miller, D.J. | 登録日 | 2017-08-25 | 公開日 | 2018-06-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.356 Å) | 主引用文献 | 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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7JLS
| RV3666c bound to tripeptide | 分子名称: | Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA | 著者 | Lee, R.E, Griffith, E.C, Miller, D.J. | 登録日 | 2020-07-30 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket. Tuberculosis (Edinb), 132, 2021
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8SZV
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | 分子名称: | 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 | 著者 | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | 登録日 | 2023-05-30 | 公開日 | 2023-10-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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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4WQ2
| Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound | 分子名称: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Adams, S.E, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | 登録日 | 2014-10-21 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | 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 | 分子名称: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, CALCIUM ION, Calpain small subunit 1 | 著者 | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | 登録日 | 2014-10-21 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | 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 | 分子名称: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | 著者 | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | 登録日 | 2014-12-11 | 公開日 | 2016-01-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.199 Å) | 主引用文献 | 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 | 分子名称: | 7-keto-8-aminopelargonate synthetase-like enzyme, PYRIDOXAL-5'-PHOSPHATE | 著者 | Radka, C.D, Miller, D.J, Frank, M.W, Rock, C.O. | 登録日 | 2022-03-07 | 公開日 | 2023-01-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Biochemical characterization of the first step in sulfonolipid biosynthesis in Alistipes finegoldii. J.Biol.Chem., 298, 2022
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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 | 最終更新日 | 2024-05-22 | 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
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8SVX
| Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR Nat Commun, 2024
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8SVQ
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVU
| Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | 分子名称: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR Nat Commun, 2024
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8SVO
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVR
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVS
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR Nat Commun, 2024
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8SVP
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278 | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVT
| Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331 | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR Nat Commun, 2024
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8SVN
| Crystal structure of the apo form of pregnane X receptor ligand binding domain | 分子名称: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | 登録日 | 2023-05-17 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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4GBA
| DCNL complex with N-terminally acetylated NEDD8 E2 peptide | 分子名称: | DCN1-like protein 3, NEDD8-conjugating enzyme UBE2F | 著者 | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | 登録日 | 2012-07-26 | 公開日 | 2012-11-28 | 最終更新日 | 2013-01-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes. Structure, 21, 2013
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4GAO
| DCNL complex with N-terminally acetylated NEDD8 E2 peptide | 分子名称: | BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12 | 著者 | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | 登録日 | 2012-07-25 | 公開日 | 2012-11-28 | 最終更新日 | 2013-01-30 | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | 主引用文献 | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes. Structure, 21, 2013
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5JG6
| APC11-Ubv shows role of noncovalent RING-Ubiquitin interactions in processive multiubiquitination and Ubiquitin chain elongation by APC/C | 分子名称: | Anaphase-promoting complex subunit 11, Polyubiquitin-B, ZINC ION | 著者 | Brown, N.G, Zhang, W, Yu, S, Miller, D.J, Sidhu, S.S, Schulman, B.A. | 登録日 | 2016-04-19 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.0013 Å) | 主引用文献 | Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. Cell, 165, 2016
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5D69
| Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound | 分子名称: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], CALCIUM ION, Calpain small subunit 1, ... | 著者 | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | 登録日 | 2015-08-11 | 公開日 | 2015-09-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Conformationally restricted calpain inhibitors. Chem Sci, 6, 2015
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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 | 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
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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 | 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
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2BAS
| Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain. | 分子名称: | BETA-MERCAPTOETHANOL, YkuI protein | 著者 | Minasov, G, Brunzelle, J.S, Shuvalova, L, Miller, D.J, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-10-14 | 公開日 | 2005-11-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | 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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