1T1B
 
 | | Late intermediate IL2 from time-resolved crystallography of the E46Q mutant of PYP | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | 登録日 | 2004-04-15 | | 公開日 | 2005-01-18 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1C
 | | Late intermediate IL3 from time-resolved crystallography of the E46Q mutant of PYP | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | 登録日 | 2004-04-15 | | 公開日 | 2005-01-18 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1A
 | | Late intermediate IL1 from time-resolved crystallography of the E46Q mutant of PYP | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | 登録日 | 2004-04-15 | | 公開日 | 2005-01-18 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T19
 | | Early intermediate IE2 from time-resolved crystallography of the E46Q mutant of PYP | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | 登録日 | 2004-04-15 | | 公開日 | 2005-01-18 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T18
 | | Early intermediate IE1 from time-resolved crystallography of the E46Q mutant of PYP | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | 登録日 | 2004-04-15 | | 公開日 | 2005-01-18 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1MZU
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4ETJ
 | | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4ESS
 | | Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187 | | 分子名称: | OR187 | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-04-23 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9971 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4JVV
 | | Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273 | | 分子名称: | evolved variant of the computationally designed serine hydrolase | | 著者 | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-03-26 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4JCA
 | | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | | 分子名称: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | | 著者 | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-02-21 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.411 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4JLL
 | | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-03-12 | | 公開日 | 2013-04-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4DRT
 | | Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | | 分子名称: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | | 著者 | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-02-17 | | 公開日 | 2012-04-18 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4F2V
 | | Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165 | | 分子名称: | DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase | | 著者 | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-05-08 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4ETK
 | | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | | 分子名称: | De novo designed serine hydrolase, SODIUM ION | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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3TP4
 | | Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128 | | 分子名称: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2011-09-07 | | 公開日 | 2011-10-05 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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3V45
 | | Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 | | 分子名称: | CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55 | | 著者 | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2011-12-14 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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3T03
 | | Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16 | | 分子名称: | (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | 著者 | Rajagopalan, S, Webb, P, Baxter, J.D, Brennan, R.G, Phillips, K.J. | | 登録日 | 2011-07-19 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | GQ-16, a novel peroxisome proliferator-activated receptor (PPAR gamma) ligand, promotes insulin sensitization without weight gain.
J.Biol.Chem., 287, 2012
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5BQD
 | | Crystal Structure of TBX5 (1-239) Dimer | | 分子名称: | MAGNESIUM ION, T-box transcription factor TBX5 | | 著者 | Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J. | | 登録日 | 2015-05-28 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.583 Å) | | 主引用文献 | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
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4N3P
 | | Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396 | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | 著者 | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Kogan, S, Maglaqui, M, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-10-07 | | 公開日 | 2013-11-13 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
To be Published
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1S4S
 | | Reaction Intermediate in the Photocycle of PYP, intermediate occupied between 100 micro-seconds to 5 milli-seconds | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | 著者 | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | 登録日 | 2004-01-17 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | 分子名称: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | 著者 | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | 登録日 | 2022-08-24 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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5YJI
 | | Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | 分子名称: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | 登録日 | 2017-10-10 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
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5YJF
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | 分子名称: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | 登録日 | 2017-10-10 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
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4KYB
 | | Crystal Structure of de novo designed serine hydrolase OSH55.14_E3, Northeast Structural Genomics Consortium Target OR342 | | 分子名称: | Designed Protein OR342, PHOSPHATE ION | | 著者 | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Raja, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-05-28 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.909 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target OR342
To be Published
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5U0P
 | | Cryo-EM structure of the transcriptional Mediator | | 分子名称: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | | 著者 | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | | 登録日 | 2016-11-26 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
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