8DI4
 
 | | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | | Descriptor: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Hayes, R.P, Yan, Y. | | Deposit date: | 2022-06-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.016 Å) | | Cite: | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia.
J.Med.Chem., 66, 2023
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4HUZ
 | | 2,6-Dichloro-p-hydroquinone 1,2-Dioxygenase | | Descriptor: | 2,6-dichloro-p-hydroquinone 1,2-dioxygenase, FE (III) ION, SULFATE ION | | Authors: | Hayes, R.P, Nissen, M.S, Green, A.R, Lewis, K.M, Xun, L, Kang, C. | | Deposit date: | 2012-11-05 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural characterization of 2,6-dichloro-p-hydroquinone 1,2-dioxygenase (PcpA) from Sphingobium chlorophenolicum, a new type of aromatic ring-cleavage enzyme.
Mol.Microbiol., 88, 2013
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4LBP
 | | 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG) from Burkholderia phenoliruptrix AC1100: Complex with 2,5-dihydroxybenzoquinone | | Descriptor: | 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione, 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG) | | Authors: | Hayes, R.P, Lewis, K.M, Xun, L, Kang, C. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-28 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Catalytic Mechanism of 5-Chlorohydroxyhydroquinone Dehydrochlorinase from the YCII Superfamily of Largely Unknown Function.
J.Biol.Chem., 288, 2013
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4RNS
 | | PcpR inducer binding domain (apo-form) | | Descriptor: | PCP degradation transcriptional activation protein | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-25 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
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4RPO
 | | PcpR inducer binding domain (Complex with 2,4,6-trichlorophenol) | | Descriptor: | 2,4,6-trichlorophenol, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
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4RPN
 | | PcpR inducer binding domain complex with pentachlorophenol | | Descriptor: | PCP degradation transcriptional activation protein, PENTACHLOROPHENOL | | Authors: | Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C. | | Deposit date: | 2014-10-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.272 Å) | | Cite: | Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
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7LUF
 | | HSV1 polymerase ternary complex with dsDNA and PNU-183792 | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | | Authors: | Hayes, R.P, Klein, D. | | Deposit date: | 2021-02-22 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase.
Nat Commun, 12, 2021
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4LBH
 | | 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG) from Burkholderia phenoliruptrix AC1100: Apo-form | | Descriptor: | 5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG), DI(HYDROXYETHYL)ETHER | | Authors: | Hayes, R.P, Lewis, K.M, Xun, L, Kang, C. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Catalytic Mechanism of 5-Chlorohydroxyhydroquinone Dehydrochlorinase from the YCII Superfamily of Largely Unknown Function.
J.Biol.Chem., 288, 2013
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4LBI
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5H9F
 | | Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target at 2.45 angstrom resolution. | | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | | Authors: | Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A. | | Deposit date: | 2015-12-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
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3S2I
 | | Crystal Structure of FurX NADH+:Furfuryl alcohol II | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S1L
 | | Crystal Structure of Apo-form FurX | | Descriptor: | HEXAETHYLENE GLYCOL, ZINC ION, Zinc-containing alcohol dehydrogenase superfamily | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-15 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Furfural reduction mechanism of a zinc-dependent alcohol dehydrogenase from Cupriavidus necator JMP134.
Mol.Microbiol., 83, 2012
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3S2E
 | | Crystal Structure of FurX NADH Complex 1 | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.763 Å) | | Cite: | Crystal Structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S2F
 | | Crystal Structure of FurX NADH:Furfural | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHORYLISOPROPANE, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S2G
 | | Crystal Structure of FurX NADH+:Furfuryl alcohol I | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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5H9E
 | | Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target (32-nt spacer) at 3.20 angstrom resolution. | | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | | Authors: | Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A. | | Deposit date: | 2015-12-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
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4G5E
 | | 2,4,6-Trichlorophenol 4-monooxygenase | | Descriptor: | 2,4,6-Trichlorophenol 4-monooxygenase | | Authors: | Hayes, R.P, Webb, B.N, Subramanian, A.K, Nissen, M, Popchock, A, Xun, L, Kang, C. | | Deposit date: | 2012-07-17 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Catalytic Differences between Two FADH(2)-Dependent Monooxygenases: 2,4,5-TCP 4-Monooxygenase (TftD) from Burkholderia cepacia AC1100 and 2,4,6-TCP 4-Monooxygenase (TcpA) from Cupriavidus necator JMP134.
Int J Mol Sci, 13, 2012
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4G0L
 | | Glutathionyl-hydroquinone Reductase, YqjG, of E.coli complexed with GSH | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, SULFATE ION, ... | | Authors: | Green, A.R, Hayes, R.P, Xun, L, Kang, C. | | Deposit date: | 2012-07-09 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural understanding of the glutathione-dependent reduction mechanism of glutathionyl-hydroquinone reductases.
J.Biol.Chem., 287, 2012
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7KIB
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Palte, R.L, Hayes, R.P. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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5U0A
 | | CRISPR RNA-guided surveillance complex | | Descriptor: | CRISPR-associated protein, Cas5e family, Cse1 family, ... | | Authors: | Xiao, Y, Luo, M, Hayes, R.P, Kim, J, Ng, S, Ding, F, Liao, M, Ke, A. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
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5U07
 | | CRISPR RNA-guided surveillance complex | | Descriptor: | CRISPR-associated protein, Cas5e family, Cse1 family, ... | | Authors: | Xiao, Y, Luo, M, Hayes, R.P, Kim, J, Ng, S, Ding, F, Liao, M, Ke, A. | | Deposit date: | 2016-11-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
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4KEC
 | | SbHCT-complex form | | Descriptor: | (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid, COENZYME A, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase | | Authors: | Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C. | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases.
Plant Physiol., 162, 2013
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4KE4
 | | Elucidation of the structure and reaction mechanism of Sorghum bicolor hydroxycinnamoyltransferase and its structural relationship to other CoA-dependent transferases and synthases | | Descriptor: | GLYCEROL, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase, TETRAETHYLENE GLYCOL | | Authors: | Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C. | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases.
Plant Physiol., 162, 2013
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4G0K
 | | Glutathionyl-hydroquinone reductase, YqjG, of E.coli complexed with GS-menadione | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycine, SULFATE ION, ... | | Authors: | Green, A.R, Hayes, R.P, Xun, L, Kang, C. | | Deposit date: | 2012-07-09 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.557 Å) | | Cite: | Structural understanding of the glutathione-dependent reduction mechanism of glutathionyl-hydroquinone reductases.
J.Biol.Chem., 287, 2012
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4G0I
 | | Glutathionyl-Hydroquinone Reductase, YqjG of Escherichia coli | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, protein yqjG | | Authors: | Green, A.R, Hayes, R.P, Xun, L, Kang, C. | | Deposit date: | 2012-07-09 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural understanding of the glutathione-dependent reduction mechanism of glutathionyl-hydroquinone reductases.
J.Biol.Chem., 287, 2012
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