5H9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9e by Molmil](/molmil-images/mine/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
|
|
8DI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8di4 by Molmil](/molmil-images/mine/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
|
|
5H9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9f by Molmil](/molmil-images/mine/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
|
|
4HUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4huz by Molmil](/molmil-images/mine/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
|
|
4RNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rns by Molmil](/molmil-images/mine/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
|
|
4RPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rpo by Molmil](/molmil-images/mine/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
|
|
4RPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rpn by Molmil](/molmil-images/mine/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
|
|
4G5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g5e by Molmil](/molmil-images/mine/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
|
|
7LUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7luf by Molmil](/molmil-images/mine/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
|
|
3S2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2f by Molmil](/molmil-images/mine/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
|
|
3S2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2i by Molmil](/molmil-images/mine/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
|
|
3S2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2g by Molmil](/molmil-images/mine/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
|
|
3S1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s1l by Molmil](/molmil-images/mine/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
|
|
3S2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2e by Molmil](/molmil-images/mine/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
|
|
4LBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lbh by Molmil](/molmil-images/mine/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
|
|
4LBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lbi by Molmil](/molmil-images/mine/4lbi) | |
4LBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lbp by Molmil](/molmil-images/mine/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
|
|
4G0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g0k by Molmil](/molmil-images/mine/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
|
|
4FQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fqu by Molmil](/molmil-images/mine/4fqu) | |
4G0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g0i by Molmil](/molmil-images/mine/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
|
|
4G0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g0l by Molmil](/molmil-images/mine/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
|
|
5U0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u0a by Molmil](/molmil-images/mine/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
|
|
5U07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u07 by Molmil](/molmil-images/mine/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
|
|
7KIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kib by Molmil](/molmil-images/mine/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
|
|
4KE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ke4 by Molmil](/molmil-images/mine/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
|
|