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153D
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CRYSTAL STRUCTURE OF A MISPAIRED DODECAMER, D(CGAGAATTC(O6ME)GCG)2, CONTAINING A CARCINOGENIC O6-METHYLGUANINE
Descriptor:DNA (5'-D(*CP*GP*AP*GP*AP*AP*TP*TP*CP*(6OG)P*CP*G)-3')
Authors:Ginell, S.L., Vojtechovsky, J., Gaffney, B., Jones, R., Berman, H.M.
Deposit date:1993-12-16
Release date:1994-01-15
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a mispaired dodecamer, d(CGAGAATTC(O6Me)GCG)2, containing a carcinogenic O6-methylguanine
Biochemistry, 33, 1994
1D24
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CRYSTAL AND MOLECULAR STRUCTURE OF A DNA DUPLEX CONTAINING THE CARCINOGENIC LESION O6-METHYLGUANINE
Descriptor:DNA (5'-D(*CP*GP*CP*(6OG)P*CP*G)-3')
Authors:Ginell, S.L., Kuzmich, S., Jones, R.A., Berman, H.M.
Deposit date:1990-08-29
Release date:1992-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal and molecular structure of a DNA duplex containing the carcinogenic lesion O6-methylguanine.
Biochemistry, 29, 1990
3UBI
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THE ABSENCE OF TERTIARY INTERACTIONS IN A SELF-ASSEMBLED DNA CRYSTAL STRUCTURE
Descriptor:DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*CP*GP*TP*AP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*TP*AP*CP*GP*AP*CP*GP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*AP*GP*GP*CP*TP*GP*C)-3'), ...
Authors:Nguyen, N., Birktoft, J.J., Sha, R., Wang, T., Zheng, J., Constantinou, P.E., Ginell, S.L., Chen, Y., Mao, C., Seeman, N.C.
Deposit date:2011-10-24
Release date:2012-05-16
Method:X-RAY DIFFRACTION (6.8046 Å)
Cite:The absence of tertiary interactions in a self-assembled DNA crystal structure.
J.Mol.Recognit., 25, 2012
1I24
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HIGH RESOLUTION CRYSTAL STRUCTURE OF THE WILD-TYPE PROTEIN SQD1, WITH NAD AND UDP-GLUCOSE
Descriptor:SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, SULFATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Theisen, M.J., Sanda, S.L., Ginell, S.L., Benning, C., Garavito, R.M.
Deposit date:2001-02-05
Release date:2003-07-01
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Characterization of the Active Site of Udp-Sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State
To be Published
1I2B
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CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-SULFOQUINOVOSE/UDP-GLUCOSE
Descriptor:SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, SULFATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Theisen, M.J., Sanda, S.L., Ginell, S.L., Benning, C., Garavito, R.M.
Deposit date:2001-02-07
Release date:2003-07-01
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of the Active Site of UDP-sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State
To be Published
1I2C
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CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE
Descriptor:SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, SULFATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Theisen, M.J., Sanda, S.L., Ginell, S.L., Benning, C., Garavito, R.M.
Deposit date:2001-02-07
Release date:2003-07-01
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of the Active Site of UDP-sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State.
To be Published
1D28
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CRYSTAL AND MOLECULAR STRUCTURE OF A DNA FRAGMENT: D(CGTGAATTCACG)
Descriptor:DNA (5'-D(*CP*GP*TP*GP*AP*AP*TP*TP*CP*AP*CP*G)-3')
Authors:Narayana, N., Ginell, S.L., Russu, I.M., Berman, H.M.
Deposit date:1990-12-18
Release date:1992-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal and molecular structure of a DNA fragment: d(CGTGAATTCACG).
Biochemistry, 30, 1991
1D76
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CRYSTAL AND MOLECULAR STRUCTURE OF A DNA FRAGMENT CONTAINING A 2-AMINO ADENINE MODIFICATION: THE RELATIONSHIP BETWEEN CONFORMATION, PACKING, AND HYDRATION IN Z-DNA HEXAMERS
Descriptor:DNA (5'-D(*CP*GP*UP*(1AP)P*CP*G)-3')
Authors:Schneider, B., Ginell, S.L., Jones, R., Gaffney, B., Berman, H.M.
Deposit date:1992-05-19
Release date:1992-09-15
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal and molecular structure of a DNA fragment containing a 2-aminoadenine modification: the relationship between conformation, packing, and hydration in Z-DNA hexamers.
Biochemistry, 31, 1992
1DIY
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CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Descriptor:PROSTAGLANDIN H2 SYNTHASE-1, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Malkowski, M.G., Ginell, S.L., Smith, W.L., Garavito, R.M.
Deposit date:1999-11-30
Release date:2000-09-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
1W8I
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THE STRUCTURE OF GENE PRODUCT AF1683 FROM ARCHAEOGLOBUS FULGIDUS.
Descriptor:PUTATIVE VAPC RIBONUCLEASE AF_1683
Authors:Midwest Center for Structural Genomics (MCSG), Cuff, M.E., Zhang, R., Ginell, S.L., Xu, X., Savchenko, A., Edwards, A., Joachimiak, A.
Deposit date:2004-09-22
Release date:2004-11-16
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of Gene Product Af1683 from Archaeoglobus Fulgidus
To be Published
210D
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CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A)CG] AND ITS PLATINATED DERIVATIVE
Descriptor:DNA (5'-D(*CP*GP*TP*(1AP)P*CP*G)-3'), SPERMINE
Authors:Parkinson, G.N., Arvantis, G.M., Lessinger, L., Ginell, S.L., Jones, R., Gaffney, B., Berman, H.M.
Deposit date:1995-06-13
Release date:1996-03-22
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal and molecular structure of a new Z-DNA crystal form: d[CGT(2-NH2-A)CG] and its platinated derivative.
Biochemistry, 34, 1995
211D
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THE CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A) CG] AND ITS PLATINATED DERIVATIVE
Descriptor:DNA (5'-D(*CP*GP*TP*(1AP)P*CP*(PT(NH3)3)G)-3'), PLATINUM TRIAMINE ION, SPERMINE
Authors:Parkinson, G.N., Arvantis, G.M., Lessinger, L., Ginell, S.L., Jones, R., Gaffney, B., Berman, H.M.
Deposit date:1995-06-13
Release date:1996-03-22
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal and molecular structure of a new Z-DNA crystal form: d[CGT(2-NH2-A)CG] and its platinated derivative.
Biochemistry, 34, 1995
5A90
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100K NEUTRON LIGAND FREE: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Descriptor:BETA-LACTAMASE CTX-M-97
Authors:Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Erskine, P.T., Tomanicek, S.J., Ostermann, A., Schrader, T.E., Ginell, S.L., Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2017-03-22
Method:NEUTRON DIFFRACTION (1.7 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A91
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15K X-RAY LIGAND FREE: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Descriptor:SULFATE ION
Authors:Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Erskine, P.T., Tomanicek, S.J., Ostermann, A., Schrader, T.E., Ginell, S.L., Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A92
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15K X-RAY STRUCTURE WITH CEFOTAXIME: EXPLORING THE MECHANISM OF BETA- LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Descriptor:BETA-LACTAMASE CTX-M-97, SULFATE ION, CEFOTAXIME, ...
Authors:Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Erskine, P.T., Tomanicek, S.J., Ostermann, A., Schrader, T.E., Ginell, S.L., Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A93
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293K JOINT X-RAY NEUTRON WITH CEFOTAXIME: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Descriptor:BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
Authors:Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Erskine, P.T., Tomanicek, S.J., Ostermann, A., Schrader, T.E., Ginell, S.L., Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2018-11-14
Method:NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5DZJ
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 2 WITH CARBAPENEM DRUG T206 IN CONFORMATION A
Descriptor:L,D-transpeptidase 2, (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
Authors:Kumar, P., Ginell, S.L., Lamichhane, G.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DZP
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 2 WITH CARBAPENEM DRUG T206 IN CONFORMATION B
Descriptor:L,D-transpeptidase 2, (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
Authors:Kumar, P., Ginell, S.L., Lamichhane, G.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E1G
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 2 WITH CARBAPENEM DRUG T208
Descriptor:L,D-transpeptidase 2, (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Authors:Kumar, P., Lamichhane, G., Ginell, S.L.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E1I
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 2 WITH CARBAPENEM DRUG T210
Descriptor:L,D-transpeptidase 2, SODIUM ION, (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, ...
Authors:Kumar, P., Ginell, S.L., Lamichhane, G.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E51
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 1 WITH FAROPENEM ADDUCT
Descriptor:L,D-transpeptidase 1, (3R)-3-hydroxybutanal
Authors:Kumar, P., Lamichhane, G., Ginell, S.L.
Deposit date:2015-10-07
Release date:2016-10-26
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5E5L
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 1 AT 1.89 ANGSTROM
Descriptor:L,D-transpeptidase 1
Authors:Kumar, P., Lamichhane, G., Ginell, S.L.
Deposit date:2015-10-08
Release date:2016-10-26
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5G18
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DIRECT OBSERVATION OF ACTIVE-SITE PROTONATION STATES IN A CLASS A BETA LACTAMASE WITH A MONOBACTAM SUBSTRATE
Descriptor:BETA-LACTAMASE CTX-M-97, 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, SULFATE ION
Authors:Vandavasi, V.G., Weiss, K.L., Parks, J.M., Cooper, J.B., Ginell, S.L., Coates, L.
Deposit date:2016-03-23
Release date:2016-11-09
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
5K69
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS L,D-TRANSPEPTIDASE 2 WITH CARBAPENEM DRUG T224
Descriptor:L,D-transpeptidase 2, GLYCEROL, (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Authors:Lamichhane, G., Ginell, S.L., Kumar, P.
Deposit date:2016-05-24
Release date:2016-11-09
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5KMW
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TOHO1 BETA LACTAMASE MUTANT E166A/R274N/R276N -BENZYL PENICILLIN COMPLEX
Descriptor:Beta-lactamase Toho-1, SULFATE ION, OPEN FORM - PENICILLIN G, ...
Authors:Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.
Deposit date:2016-06-27
Release date:2017-03-01
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
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