7SHE
 
 | | Cryo-EM structure of human GPR158 | | 分子名称: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | | 著者 | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | | 登録日 | 2021-10-08 | | 公開日 | 2021-12-01 | | 最終更新日 | 2022-01-19 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
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5ZZ0
 | | HUMAN GELSOLIN FROM RESIDUES GLU28 TO ARG161 WITH CALCIUM | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, Gelsolin | | 著者 | Sharma, P, Badmalia, M, Yadav, S.P.S, Singh, S. | | 登録日 | 2018-05-29 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.635 Å) | | 主引用文献 | Bonsai Gelsolin Survives Heat Induced Denaturation by Forming beta-Amyloids which Leach Out Functional Monomer.
Sci Rep, 8, 2018
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7S16
 | | Crystal structure of alpha-COP-WD40 domain R57A mutant | | 分子名称: | Coatomer subunit alpha, SODIUM ION | | 著者 | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | 登録日 | 2021-09-01 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
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7S22
 | | Crystal structure of alpha-COP-WD40 domain | | 分子名称: | Coatomer subunit alpha | | 著者 | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | 登録日 | 2021-09-02 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
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7S23
 | | Crystal structure of alpha-COP-WD40 domain, Y139A mutant | | 分子名称: | Coatomer subunit alpha | | 著者 | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | 登録日 | 2021-09-03 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
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8GDY
 | | Crystal structure of the human PDI first domain with 9 mutations | | 分子名称: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | | 著者 | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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8GDU
 | | Crystal structure of a mutant methyl transferase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium (NESG) Target MvR53-11M | | 分子名称: | Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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5JR3
 | | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone | | 分子名称: | 7-hydroxy-4-methyl-2H-chromen-2-one, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Wang, F, Johnson, B.R, Huber, T.D, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2016-05-05 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone (to be published)
To Be Published
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3IAA
 | | Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP bound form | | 分子名称: | CalG2, THYMIDINE-5'-DIPHOSPHATE | | 著者 | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2009-07-13 | | 公開日 | 2010-06-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.505 Å) | | 主引用文献 | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3IA7
 | | Crystal Structure of CalG4, the Calicheamicin Glycosyltransferase | | 分子名称: | CALCIUM ION, CHLORIDE ION, CalG4 | | 著者 | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2009-07-13 | | 公開日 | 2010-06-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7XNZ
 | | Native cystathionine beta-synthase of Mycobacterium tuberculosis. | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | 著者 | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | 登録日 | 2022-04-30 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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7XOH
 | | Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine. | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | 著者 | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | 登録日 | 2022-05-01 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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7XOY
 | | Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine and serine. | | 分子名称: | Putative cystathionine beta-synthase Rv1077, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | | 著者 | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | 登録日 | 2022-05-01 | | 公開日 | 2022-05-25 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.25 Å) | | 主引用文献 | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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2KMW
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1S6W
 | | Solution Structure of hybrid white striped bass hepcidin | | 分子名称: | Hepcidin | | 著者 | Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E. | | 登録日 | 2004-01-28 | | 公開日 | 2004-12-14 | | 最終更新日 | 2024-10-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections.
J.Biol.Chem., 280, 2005
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1L4U
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | 登録日 | 2002-03-05 | | 公開日 | 2002-06-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
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1LB5
 | | TRAF6-RANK Complex | | 分子名称: | TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B | | 著者 | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | | 登録日 | 2002-04-02 | | 公開日 | 2002-07-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
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1LB4
 | | TRAF6 apo structure | | 分子名称: | TNF receptor-associated factor 6 | | 著者 | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | | 登録日 | 2002-04-02 | | 公開日 | 2002-07-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
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1M7Q
 | | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | | 分子名称: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | | 著者 | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | | 登録日 | 2002-07-22 | | 公開日 | 2002-12-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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1LB6
 | | TRAF6-CD40 Complex | | 分子名称: | CD40 antigen, TNF receptor-associated factor 6 | | 著者 | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | | 登録日 | 2002-04-02 | | 公開日 | 2002-07-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
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1L4Y
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | 登録日 | 2002-03-06 | | 公開日 | 2002-06-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
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4XQ2
 | | Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CalE6, ... | | 著者 | Wang, F, Yennamalli, R.M, Singh, S, Tan, K, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-01-18 | | 公開日 | 2015-04-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
To Be Published
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4XR9
 | | Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose | | 分子名称: | CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-01-20 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
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4ZAH
 | | Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12 | | 分子名称: | [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate, dTDP-4-amino-4,6-dideoxygalactose transaminase | | 著者 | Wang, F, Singh, S, Cao, H, Xu, W, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-04-13 | | 公開日 | 2015-04-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases.
Acs Chem.Biol., 10, 2015
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4ZAS
 | | Crystal structure of sugar aminotransferase CalS13 from Micromonospora echinospora | | 分子名称: | CalS13, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, F, Singh, S, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-04-13 | | 公開日 | 2015-04-29 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Structure characterization of sugar aminotransferases CalS13 and WecE provides the basis for a unifying structural model for stereochemical outcome.
To Be Published
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