7LNT
 
 | | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP | | Descriptor: | (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | Deposit date: | 2021-02-08 | | Release date: | 2021-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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7LNU
 | | Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | Deposit date: | 2021-02-08 | | Release date: | 2021-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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7LNV
 | | Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus | | Descriptor: | GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION | | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | | Deposit date: | 2021-02-08 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
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2LUZ
 | | Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 | | Descriptor: | CalU16 | | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-22 | | Release date: | 2012-10-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
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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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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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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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5HOQ
 | | Apo structure of CalS11, TDP-rhamnose 3'-o-methyltransferase, an enzyme in Calicheamicin biosynthesis | | Descriptor: | SULFATE ION, TDP-rhamnose 3'-O-methyltransferase (CalS11) | | Authors: | Han, L, Helmich, K.E, Singh, S, Thorson, J.S, Bingman, C.A, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis | | Deposit date: | 2016-01-19 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Loop dynamics of thymidine diphosphate-rhamnose 3'-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis.
Struct Dyn., 3, 2016
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1S6W
 | | Solution Structure of hybrid white striped bass hepcidin | | Descriptor: | Hepcidin | | Authors: | Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E. | | Deposit date: | 2004-01-28 | | Release date: | 2004-12-14 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | 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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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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3BUJ
 | | Crystal Structure of CalO2 | | Descriptor: | CalO2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2008-01-02 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway.
Proteins, 74, 2009
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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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3D0Q
 | | Crystal structure of calG3 from Micromonospora echinospora determined in space group I222 | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Protein CalG3 | | Authors: | Bitto, E, Singh, S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N. | | Deposit date: | 2008-05-02 | | Release date: | 2008-06-24 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 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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1L4Y
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | Deposit date: | 2002-03-06 | | Release date: | 2002-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 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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4PIW
 | | Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12 | | Descriptor: | TDP-4-keto-6-deoxy-D-glucose transaminase family protein | | Authors: | Wang, F, Xu, W, Helmich, K.E, Singh, S, Yennamalli, R.M, Miller, M.D, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12
To Be Published
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1LB6
 | | TRAF6-CD40 Complex | | Descriptor: | CD40 antigen, 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 (1.8 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2002-07-22 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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2KMW
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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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