5UZ3
 
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th position and 8-oxoguanine at the 10th position | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(DMC)P*(8OG)P*CP*G)-3') | | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2017-02-24 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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4UV3
 | | Structure of the curli transport lipoprotein CsgG in its membrane- bound conformation | | Descriptor: | CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG | | Authors: | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | | Deposit date: | 2014-08-04 | | Release date: | 2014-09-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
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5UZ2
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 3rd and 9th position and 8-oxoguanine at the 10th position | | Descriptor: | DNA (5'-D(*CP*GP*(DMC)P*GP*AP*AP*TP*TP*(DMC)P*(8OG)P*CP*G)-3') | | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2017-02-24 | | Release date: | 2017-03-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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4S39
 | | IspG in complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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2VQI
 | | Structure of the P pilus usher (PapC) translocation pore | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE USHER PROTEIN PAPC | | Authors: | Remaut, H, Tang, C, Henderson, N.S, Pinkner, J.S, Wang, T, Hultgren, S.J, Thanassi, D.G, Li, H, Waksman, G. | | Deposit date: | 2008-03-16 | | Release date: | 2008-05-27 | | Last modified: | 2019-01-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Fiber formation across the bacterial outer membrane by the chaperone/usher pathway.
Cell, 133, 2008
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1JY9
 | | MINIMIZED AVERAGE STRUCTURE OF DP-TT2 | | Descriptor: | DP-TT2 | | Authors: | Stanger, H.E, Syud, F.A, Espinosa, J.F, Giriat, I, Muir, T, Gellman, S.H. | | Deposit date: | 2001-09-11 | | Release date: | 2001-09-19 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4S3C
 | | IspG in complex with Epoxide Intermediate | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3E
 | | IspG in complex with Inhibitor 7 (compound 1061) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3B
 | | IspG in complex with Intermediate II | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S38
 | | IspG in complex MEcPP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3D
 | | IspG in complex with PPi | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3F
 | | IspG in complex with Inhibitor 8 (compound 1077) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3A
 | | IspG in complex with Intermediate I | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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5VQ5
 | | Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD | | Descriptor: | Adhesin, IODIDE ION | | Authors: | Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D. | | Deposit date: | 2017-05-08 | | Release date: | 2017-05-24 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist.
Nature, 546, 2017
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5LNG
 | | Lectin domain of E. coli F9 pilus adhesin FmlH | | Descriptor: | Putative Fml fimbrial adhesin FmlD, SULFATE ION | | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-05 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection.
Cell Host Microbe, 20, 2016
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5LNE
 | | E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen | | Descriptor: | NICKEL (II) ION, Putative Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | | Authors: | Ruer, S, Conover, M.S, Kalas, V, Taganna, J, De Greve, H, Pinkner, J.S, Dodson, K.W, Hultgren, S.J, Remaut, H. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inflammation-Induced Adhesin-Receptor Interaction Provides a Fitness Advantage to Uropathogenic E. coli during Chronic Infection.
Cell Host Microbe, 20, 2016
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5L06
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 3rd Position | | Descriptor: | DNA (5'-D(*CP*GP*(5CM)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Miears, H.L, Hoppins, J.J, Gruber, D.R, Kasymov, R.D, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-07-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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5L2G
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5CM)P*GP*CP*G)-3') | | Authors: | Miears, H.L, Hoppins, J.J, Gruber, D.R, Kasymov, R.D, Johnson, E.C, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-08-01 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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5IV1
 | | Solution Structure of DNA Dodecamer with 8-oxoguanine at 4th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*(8OG)P*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Miears, H.L, Gruber, D.R, Hoppins, J.J, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme.
Plos One, 11, 2016
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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5IZP
 | | Solution Structure of DNA Dodecamer with 8-oxoguanine at 10th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*(8OG)P*CP*G)-3') | | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-03-25 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme.
Plos One, 11, 2016
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3ME0
 | | Structure of the E. coli chaperone PAPD in complex with the pilin domain of the PapGII adhesin | | Descriptor: | Chaperone protein papD, PapG protein | | Authors: | Ford, B.A, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J. | | Deposit date: | 2010-03-31 | | Release date: | 2011-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of the E. Coli Chaperone PapD in Complex with the Pilin Domain of the PapGII Adhesin
To be Published
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5FQT
 | | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4. | | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
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5FQS
 | | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3. | | Descriptor: | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
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5FQR
 | | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2. | | Descriptor: | (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
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