3U25
| Crystal structure of P. aeruginoas azurin containing a Tyr-His hydrogen bonded pair | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | Authors: | Warren, J.J, Winkler, J.R, Gray, H.B. | Deposit date: | 2011-09-30 | Release date: | 2011-12-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Redox properties of tyrosine and related molecules. Febs Lett., 586, 2012
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4HHW
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3EYZ
| Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA (open form) | Descriptor: | 5'-D(*DAP*DTP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DGP*DA)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DGP*DC)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | Deposit date: | 2008-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis. Structure, 18, 2010
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3EZ5
| Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form). | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ... | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | Deposit date: | 2008-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis. Structure, 18, 2010
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2PQ3
| N-Terminal Calmodulin Zn-Trapped Intermediate | Descriptor: | CACODYLATE ION, Calmodulin, ZINC ION | Authors: | Warren, J.T, Guo, Q, Tang, W.J. | Deposit date: | 2007-05-01 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A 1.3-A structure of zinc-bound N-terminal domain of calmodulin elucidates potential early ion-binding step. J.Mol.Biol., 374, 2007
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2O8E
| human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*CP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*GP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2O8F
| human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | Descriptor: | 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2O8C
| human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2O8B
| human MutSalpha (MSH2/MSH6) bound to ADP and a G T mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2O8D
| human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2HHT
| C:O6-methyl-guanine pair in the polymerase-2 basepair position | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*CP*G)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHW
| ddTTP:O6-methyl-guanine pair in the polymerase active site, in the closed conformation | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHX
| O6-methyl-guanine in the polymerase template preinsertion site | Descriptor: | 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*G)-3', DNA Polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HVH
| ddCTP:O6MeG pair in the polymerase active site (0 position) | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*A*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HVI
| ddCTP:G pair in the polymerase active site (0 position) | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*C*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HW3
| T:O6-methyl-guanine pair in the polymerase postinsertion site (-1 basepair position) | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*T)-3', 5'-D(*GP*TP*A*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA Polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-07-31 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHS
| O6-methyl:C pair in the polymerase-10 basepair position | Descriptor: | 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*GP*CP*AP*TP*GP*A)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHQ
| O6-methyl-guanine:T pair in the polymerase-10 basepair position | Descriptor: | 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*AP*TP*GP*A)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHU
| C:O6-methyl-guanine in the polymerase postinsertion site (-1 basepair position) | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*CP*C)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*GP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HHV
| T:O6-methyl-guanine in the polymerase-2 basepair position | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*TP*G)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA Polymerase I, ... | Authors: | Warren, J.J, Forsberg, L.J, Beese, L.S. | Deposit date: | 2006-06-28 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The structural basis for the mutagenicity of O6-methyl-guanine lesions. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7TC5
| All Phe-Azurin variant - F15Y | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION, ... | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem., 61, 2022
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7TC6
| All Phe-Azurin variant - F15W | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem., 61, 2022
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3IRC
| Crystal structure analysis of dengue-1 envelope protein domain III | Descriptor: | ENVELOPE PROTEIN, SULFATE ION | Authors: | Nelson, C.A, Kim, T, Warren, J.T, Chruszcz, M, Minor, W, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-21 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure Analysis of the Dengue-1 Envelope Protein Domain III To be Published
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1DTQ
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-01-13 | Release date: | 2000-03-20 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses. J.Biol.Chem., 275, 2000
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1DTT
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-01-13 | Release date: | 2000-04-02 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses. J.Biol.Chem., 275, 2000
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