7S16
 
 | | Crystal structure of alpha-COP-WD40 domain R57A mutant | | Descriptor: | Coatomer subunit alpha, SODIUM ION | | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | Deposit date: | 2021-09-01 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | 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 | | Descriptor: | Coatomer subunit alpha | | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | Deposit date: | 2021-09-02 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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 | | Descriptor: | Coatomer subunit alpha | | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | | Deposit date: | 2021-09-03 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | 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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4XR9
 | | Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose | | Descriptor: | CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | 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) | | Deposit date: | 2015-01-20 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
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5EYB
 | | X-ray Structure of Reb1-Ter Complex | | Descriptor: | DNA (26-MER), DNA-binding protein reb1 | | Authors: | Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R. | | Deposit date: | 2015-11-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3LST
 | | Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound form | | Descriptor: | 1,2-ETHANEDIOL, CalO1 Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 67, 2011
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4WS9
 | | Crystal structure of sMAT N159G from Sulfolobus solfataricus | | Descriptor: | PHOSPHATE ION, S-adenosylmethionine synthase | | Authors: | Wang, F, Brady, E.L, Singh, S, Clinger, J.A, Huber, T.D, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2014-10-26 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Crystal structure of sMAT N159G from Sulfolobus solfataricus.
To Be Published
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4XQ2
 | | Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CalE6, ... | | Authors: | Wang, F, Yennamalli, R.M, Singh, S, Tan, K, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-01-18 | | Release date: | 2015-04-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
To Be Published
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5JR3
 | | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone | | Descriptor: | 7-hydroxy-4-methyl-2H-chromen-2-one, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Wang, F, Johnson, B.R, Huber, T.D, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2016-05-05 | | Release date: | 2016-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | 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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4Q31
 | | The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ... | | Authors: | 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) | | Deposit date: | 2014-04-10 | | Release date: | 2014-05-07 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Struct Dyn, 3, 2016
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7XNZ
 | | Native cystathionine beta-synthase of Mycobacterium tuberculosis. | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-04-30 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | 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. | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077 | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-05-01 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | 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. | | Descriptor: | Putative cystathionine beta-synthase Rv1077, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | | Authors: | Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A. | | Deposit date: | 2022-05-01 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
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3IAA
 | | Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP bound form | | Descriptor: | CalG2, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2009-07-13 | | Release date: | 2010-06-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.505 Å) | | Cite: | 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 | | Descriptor: | CALCIUM ION, CHLORIDE ION, CalG4 | | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2009-07-13 | | Release date: | 2010-06-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | 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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8GDY
 | | Crystal structure of the human PDI first domain with 9 mutations | | Descriptor: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | | Authors: | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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 | | Descriptor: | Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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4ZAH
 | | Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12 | | Descriptor: | [[(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 | | Authors: | 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) | | Deposit date: | 2015-04-13 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | 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 | | Descriptor: | CalS13, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, F, Singh, S, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-04-13 | | Release date: | 2015-04-29 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | 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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5EEH
 | | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol | | Descriptor: | 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-10-22 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
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5EEG
 | | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH | | Descriptor: | (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 | | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-10-22 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
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3C64
 | | The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1) | | Descriptor: | CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL | | Authors: | Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N. | | Deposit date: | 2008-02-02 | | Release date: | 2008-09-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
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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 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | Deposit date: | 2002-03-05 | | Release date: | 2002-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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1LB4
 | | TRAF6 apo structure | | Descriptor: | TNF receptor-associated factor 6 | | Authors: | 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. | | Deposit date: | 2002-04-02 | | Release date: | 2002-07-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
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1LB5
 | | TRAF6-RANK Complex | | Descriptor: | TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B | | Authors: | 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. | | Deposit date: | 2002-04-02 | | Release date: | 2002-07-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
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