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153D
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BU of 153d by Molmil
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:2024-02-07
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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BU of 1d24 by Molmil
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:2024-02-07
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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BU of 3ubi by Molmil
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(*TP*CP*TP*GP*AP*TP*GP*AP*GP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*TP*AP*CP*GP*AP*CP*GP*AP*CP*AP*AP*G)-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
Last modified:2024-02-28
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
5K69
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Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
Descriptor: (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, GLYCEROL, L,D-transpeptidase 2
Authors:Lamichhane, G, Ginell, S.L, Kumar, P.
Deposit date:2016-05-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
Descriptor: L,D-TRANSPEPTIDASE 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2017-02-21
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
5KMW
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BU of 5kmw by Molmil
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
Descriptor: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, 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:2019-12-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
Descriptor: 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, Beta-lactamase Toho-1
Authors:Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
Deposit date:2016-07-08
Release date:2016-11-09
Last modified:2019-12-04
Method:NEUTRON DIFFRACTION (2.1 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
210D
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BU of 210d by Molmil
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:2024-02-14
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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BU of 211d by Molmil
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:2024-02-14
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
1W8I
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BU of 1w8i by Molmil
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
1I2C
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BU of 1i2c by Molmil
CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ...
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:2023-08-09
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
1I2B
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BU of 1i2b by Molmil
CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-SULFOQUINOVOSE/UDP-GLUCOSE
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ...
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:2023-08-09
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
1I24
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BU of 1i24 by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF THE WILD-TYPE PROTEIN SQD1, WITH NAD AND UDP-GLUCOSE
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ...
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:2023-08-09
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
5A92
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BU of 5a92 by Molmil
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, 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:2018-10-03
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
5A90
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BU of 5a90 by Molmil
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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BU of 5a91 by Molmil
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:2019-10-09
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
5A93
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BU of 5a93 by Molmil
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:2024-01-10
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
6C78
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Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis
Descriptor: Beta-lactamase Toho-1
Authors:Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:NEUTRON DIFFRACTION (1.75 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C79
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Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
1D28
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BU of 1d28 by Molmil
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:2024-02-07
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:2024-02-07
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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BU of 1diy by Molmil
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ...
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:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
5E1I
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BU of 5e1i by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210
Descriptor: (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ...
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DZJ
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Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A
Descriptor: (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, L,D-transpeptidase 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017

 

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