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1Z5T
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BU of 1z5t by Molmil
Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I.
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION
Authors:Moulaei, T, Maehigashi, T, Lountos, G.T, Komeda, S, Watkins, D, Stone, M.P, Marky, L.A, Li, J.S, Gold, B, Williams, L.D.
Deposit date:2005-03-19
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of B-DNA with cations tethered in the major groove.
Biochemistry, 44, 2005
2QEG
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BU of 2qeg by Molmil
B-DNA with 7-deaza-dG modification
Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*(7GU)P*DCP*DG)-3')
Authors:Wang, F, Li, F, Ganguly, M, Marky, L.A, Gold, B, Egli, M, Stone, M.P.
Deposit date:2007-06-25
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A bridging water anchors the tethered 5-(3-aminopropyl)-2'-deoxyuridine amine in the DNA major groove proximate to the N+2 C.G base pair: implications for formation of interstrand 5'-GNC-3' cross-links by nitrogen mustards.
Biochemistry, 47, 2008
2QEF
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BU of 2qef by Molmil
X-ray structure of 7-deaza-dG and Z3dU modified duplex CGCGAATXCZCG
Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(ZDU)P*DCP*(7GU)P*DCP*DG)-3')
Authors:Wang, F, Li, F, Ganguly, M, Marky, L.A, Gold, B, Egli, M, Stone, M.P.
Deposit date:2007-06-25
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A bridging water anchors the tethered 5-(3-aminopropyl)-2'-deoxyuridine amine in the DNA major groove proximate to the N+2 C.G base pair: implications for formation of interstrand 5'-GNC-3' cross-links by nitrogen mustards.
Biochemistry, 47, 2008
2LIA
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BU of 2lia by Molmil
Solution NMR structure of a DNA dodecamer containing the 7-aminomethyl-7-deaza-2'-deoxyguanosine adduct
Descriptor: DNA (5'-D(*GP*AP*GP*AP*(2LA)P*CP*GP*CP*TP*CP*TP*C)-3')
Authors:Szulik, M.W, Ganguly, M, Wang, R, Gold, B, Stone, M.P.
Deposit date:2011-08-26
Release date:2012-08-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Site-Specific Stabilization of DNA by a Tethered Major Groove Amine, 7-Aminomethyl-7-deaza-2'-deoxyguanosine.
Biochemistry, 52, 2013
3OPI
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BU of 3opi by Molmil
7-DEAZA-2'-DEOXYADENOSINE modification in B-FORM DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*(7DA)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SODIUM ION
Authors:Kowal, E.A, Ganguly, M, Pallan, P.S, Marky, L.A, Gold, B, Egli, M, Stone, M.P.
Deposit date:2010-09-01
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Altering the Electrostatic Potential in the Major Groove: Thermodynamic and Structural Characterization of 7-Deaza-2'-deoxyadenosine:dT Base Pairing in DNA.
J.Phys.Chem.B, 115, 2011
3JXY
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BU of 3jxy by Molmil
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing a GT Mismatch
Descriptor: DNA (5'-D(*CP*CP*CP*GP*TP*TP*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*GP*AP*CP*GP*GP*G)-3'), alkylpurine DNA glycosylase AlkD
Authors:Rubinson, E.H, Eichman, B.F.
Deposit date:2009-09-21
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
3JY1
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BU of 3jy1 by Molmil
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from C)
Descriptor: DNA (5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(3DR)P*GP*GP*CP*TP*T)-3'), alkylpurine DNA glycosylase AlkD
Authors:Rubinson, E.H, Eichman, B.F.
Deposit date:2009-09-21
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
3JXZ
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BU of 3jxz by Molmil
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from T)
Descriptor: DNA (5'-D(*AP*AP*AP*GP*CP*CP*TP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(3DR)P*GP*GP*CP*TP*T)-3'), alkylpurine DNA glycosylase AlkD
Authors:Rubinson, E.H, Eichman, B.F.
Deposit date:2009-09-21
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
3JX7
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BU of 3jx7 by Molmil
Bacillus cereus alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-METHYLADENINE analog
Descriptor: DNA (5'-D(*CP*CP*CP*GP*TP*TP*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*(DZM)P*AP*CP*GP*GP*G)-3'), alkylpurine DNA glycosylase AlkD
Authors:Rubinson, E.H, Eichman, B.F.
Deposit date:2009-09-18
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
6U0Q
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BU of 6u0q by Molmil
Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydrobenzo[c][1,2]oxaborol-1-uide)
Descriptor: 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Transthyretin
Authors:Windsor, I.W, Graham, B.J, Raines, R.T.
Deposit date:2019-08-14
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Boronic acid with high oxidative stability and utility in biological contexts.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VXE
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BU of 6vxe by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile with substrate trans-4-hydroxy-L-proline bound
Descriptor: 4-HYDROXYPROLINE, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.464 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
6VXC
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BU of 6vxc by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile
Descriptor: GLYCEROL, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
6C8X
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BU of 6c8x by Molmil
Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Windsor, I.W, Raines, R.T, Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Windsor, I.W, Raines, R.T, Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6CT5
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BU of 6ct5 by Molmil
PptT PAP(CoA) 8918 complex
Descriptor: 4'-phosphopantetheinyl transferase, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-03-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.759346 Å)
Cite:Opposing reactions in coenzyme A metabolism sensitizeMycobacterium tuberculosisto enzyme inhibition.
Science, 363, 2019
5XUR
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BU of 5xur by Molmil
Crystal Structure of Rv2466c C22S Mutant
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c
Authors:Zhang, X, Li, H.
Deposit date:2017-06-25
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018

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