1R2O
 
 | | d(GCATGCT) + Ni2+ | | Descriptor: | 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', NICKEL (II) ION | | Authors: | Cardin, J.C, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A. | | Deposit date: | 2003-09-29 | | Release date: | 2003-10-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
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4XAU
 | | Crystal structure of AtS13 from Actinomadura melliaura | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative aminotransferase | | Authors: | Wang, F, Singh, S, Xu, W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-12-15 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.0012 Å) | | Cite: | Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
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3PKP
 | | Q83S Variant of S. Enterica RmlA with dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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1QYL
 | | GCATGCT + Vanadium | | Descriptor: | 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', VANADIUM ION | | Authors: | Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A. | | Deposit date: | 2003-09-11 | | Release date: | 2003-10-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be Published
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367D
 | | 1.2 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/5-BROMO-9-AMINO-DACA COMPLEX | | Descriptor: | 5'-D(*CP*GP*(BRU)P*AP*CP*G)-3', 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, BROMIDE ION | | Authors: | Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J. | | Deposit date: | 1997-12-19 | | Release date: | 2003-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
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366D
 | | 1.3 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/6-BROMO-9-AMINO-DACA COMPLEX | | Descriptor: | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*(BRU)P*AP*CP*G)-3') | | Authors: | Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J. | | Deposit date: | 1997-12-19 | | Release date: | 1999-04-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution.
J.Med.Chem., 42, 1999
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1K2L
 | | STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION | | Authors: | Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Powell, H.R, Adams, A, Wakelin, L.P.G, Denny, W.A, Cardin, C.J. | | Deposit date: | 2001-09-28 | | Release date: | 2002-10-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Characterisation of Bisintercalation in Higher-order DNA at a Junction-like Quadruplex
J.MOL.BIOL., 323, 2002
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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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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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4GF5
 | | Crystal Structure of Calicheamicin Methyltransferase, CalS11 | | Descriptor: | CalS11, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | | Authors: | Helmich, K.E, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2012-08-02 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: |
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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1EG6
 | | CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE | | Descriptor: | 5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE, BROMIDE ION, ... | | Authors: | Cardin, C.J, Denny, W.A, Hobbs, J.R, Thorpe, J.H. | | Deposit date: | 2000-02-14 | | Release date: | 2001-01-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions.
Biochemistry, 39, 2000
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1QZL
 | | GCATGCT + Cobalt | | Descriptor: | 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', COBALT (II) ION | | Authors: | Cardin, C.J, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A. | | Deposit date: | 2003-09-17 | | Release date: | 2003-10-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
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3GWZ
 | | Structure of the Mitomycin 7-O-methyltransferase MmcR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MmcR, ... | | Authors: | Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S. | | Deposit date: | 2009-04-01 | | Release date: | 2010-04-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
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3GXO
 | | Structure of the Mitomycin 7-O-methyltransferase MmcR with bound Mitomycin A | | Descriptor: | CALCIUM ION, MmcR, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S. | | Deposit date: | 2009-04-02 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
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3PKQ
 | | Q83D Variant of S. Enterica RmlA with dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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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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1FPW
 | | STRUCTURE OF YEAST FREQUENIN | | Descriptor: | CALCIUM ION, CALCIUM-BINDING PROTEIN NCS-1 | | Authors: | Ames, J.B, Hendricks, K.B, Strahl, T, Huttner, I.G, Thorner, J. | | Deposit date: | 2000-08-31 | | Release date: | 2000-10-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and calcium-binding properties of Frq1, a novel calcium sensor in the yeast Saccharomyces cerevisiae.
Biochemistry, 39, 2000
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2L65
 | | HADDOCK calculated model of the complex of the resistance protein CalC and Calicheamicin-Gamma | | Descriptor: | 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-thio-beta-D-allopyranose, 3-O-methyl-alpha-L-rhamnopyranose, ... | | Authors: | Singh, S, Markley, J.L, Thorson, J.S, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-15 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
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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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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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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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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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2HDL
 | | Solution structure of Brak/CXCL14 | | Descriptor: | Small inducible cytokine B14 | | Authors: | Peterson, F.C, Thorpe, J.A, Harder, A.G, Volkman, B.F, Schwarze, S.R. | | Deposit date: | 2006-06-20 | | Release date: | 2006-10-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural Determinants Involved in the Regulation of CXCL14/BRAK Expression by the 26 S Proteasome.
J.Mol.Biol., 363, 2006
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