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7S16
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BU of 7s16 by Molmil
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
7S22
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BU of 7s22 by Molmil
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
7S23
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BU of 7s23 by Molmil
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2023-10-18
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
4XR9
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BU of 4xr9 by Molmil
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
5EYB
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BU of 5eyb by Molmil
X-ray Structure of Reb1-Ter Complex
分子名称: DNA (26-MER), DNA-binding protein reb1
著者Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R.
登録日2015-11-24
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe.
Proc.Natl.Acad.Sci.USA, 113, 2016
3LST
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BU of 3lst by Molmil
Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound form
分子名称: 1,2-ETHANEDIOL, CalO1 Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2010-02-12
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 67, 2011
4WS9
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BU of 4ws9 by Molmil
Crystal structure of sMAT N159G from Sulfolobus solfataricus
分子名称: PHOSPHATE ION, S-adenosylmethionine synthase
著者Wang, F, Brady, E.L, Singh, S, Clinger, J.A, Huber, T.D, Thorson, J.S, Phillips Jr, G.N.
登録日2014-10-26
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Crystal structure of sMAT N159G from Sulfolobus solfataricus.
To Be Published
4XQ2
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BU of 4xq2 by Molmil
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
5JR3
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BU of 5jr3 by Molmil
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
4Q31
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BU of 4q31 by Molmil
The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ...
著者Tan, K, Bigelow, L, Jedrzejczak, R, 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2014-04-10
公開日2014-05-07
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Struct Dyn, 3, 2016
7XNZ
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BU of 7xnz by Molmil
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
7XOH
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BU of 7xoh by Molmil
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
7XOY
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BU of 7xoy by Molmil
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
3IAA
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BU of 3iaa by Molmil
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
3IA7
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BU of 3ia7 by Molmil
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
8GDY
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BU of 8gdy by Molmil
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
8GDU
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BU of 8gdu by Molmil
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
4ZAH
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BU of 4zah by Molmil
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
4ZAS
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BU of 4zas by Molmil
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
5EEH
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BU of 5eeh by Molmil
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol
分子名称: 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-10-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
5EEG
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BU of 5eeg by Molmil
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH
分子名称: (2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol, Carminomycin 4-O-methyltransferase DnrK
著者Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-10-22
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
3C64
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BU of 3c64 by Molmil
The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1)
分子名称: CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL
著者Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N.
登録日2008-02-02
公開日2008-09-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
1L4U
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BU of 1l4u by Molmil
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
1LB4
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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
1LB5
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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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