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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1S9I
 | | X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP | | Descriptor: | 5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 2, ... | | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-11-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
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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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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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1SKX
 | | Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | | Descriptor: | Orphan nuclear receptor PXR, RIFAMPICIN | | Authors: | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | | Deposit date: | 2004-03-05 | | Release date: | 2005-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
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1S9J
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-11-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
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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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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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1W86
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1NH3
 | | Human Topoisomerase I Ara-C Complex | | Descriptor: | 5'-D(*(GNG)P*GP*AP*AP*AP*AP*AP*UP*UP*UP*UP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*UP*(UBB))-3', 5'-D(*AP*AP*AP*AP*AP*TP*UP*UP*UP*UP*CP*(CAR)P*AP*AP*GP*UP*CP*UP*UP*UP*UP*T)-3', ... | | Authors: | Chrencik, J.E, Burgin, A.B, Pommier, Y, Stewart, L, Redinbo, M.R. | | Deposit date: | 2002-12-18 | | Release date: | 2003-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Impact of the Leukemia Drug 1-beta-D-Arabinofuranosylcytosine (Ara-C) on the Covalent Human Topoisomerase I-DNA Complex
J.Biol.Chem., 278, 2003
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1VID
 | | CATECHOL O-METHYLTRANSFERASE | | Descriptor: | 3,5-DINITROCATECHOL, CATECHOL O-METHYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Vidgren, J, Svensson, L.A, Liljas, A. | | Deposit date: | 1996-01-05 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of catechol O-methyltransferase.
Nature, 368, 1994
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2W79
 | | Establishing wild-type levels of catalytic activity on natural and artificial (ba)8-barrel protein scaffolds | | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENEAMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION | | Authors: | Claren, J, Malisi, C, Hocker, B, Sterner, R. | | Deposit date: | 2008-12-21 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Establishing Wild-Type Levels of Catalytic Activity on Natural and Artificial (Beta Alpha)8- Barrel Protein Scaffolds.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1BKT
 | | BMKTX TOXIN FROM SCORPION BUTHUS MARTENSII KARSCH, NMR, 25 STRUCTURES | | Descriptor: | BMKTX | | Authors: | Renisio, J.G, Romi-Lebrun, R, Blanc, E, Bornet, O, Nakajima, T, Darbon, H. | | Deposit date: | 1998-07-03 | | Release date: | 1999-01-13 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BmKTX, a K+ blocker toxin from the Chinese scorpion Buthus Martensi
Proteins, 38, 2000
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1RRJ
 | | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | | Deposit date: | 2003-12-08 | | Release date: | 2004-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
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1LIR
 | | LQ2 FROM LEIURUS QUINQUESTRIATUS, NMR, 22 STRUCTURES | | Descriptor: | LQ2 | | Authors: | Renisio, J.G, Lu, Z, Blanc, E, Jin, W, Lewis, J.H, Bornet, O, Darbon, H. | | Deposit date: | 1998-04-02 | | Release date: | 1998-06-17 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Solution structure of potassium channel-inhibiting scorpion toxin Lq2.
Proteins, 34, 1999
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1RR8
 | | Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | | Deposit date: | 2003-12-08 | | Release date: | 2004-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
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2HLE
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7GYZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000035-001 | | Descriptor: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.123 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7GZL
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008304-001 | | Descriptor: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7GZ9
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000462-001 | | Descriptor: | Non-structural protein 3, N~2~-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valinamide | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7GZZ
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011184-001 | | Descriptor: | 2-[(4M)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N-methylacetamide, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.166 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7H0J
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012318-001 | | Descriptor: | 6-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-2,3-dihydro-4H-1,4lambda~6~-benzoxathiine-4,4-dione, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
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