8V0B
 
 | | Structure of TDP1 catalytic domain complexed with compound IB05 | | Descriptor: | 1,2-ETHANEDIOL, 8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of TDP1 complexed with inhibitors
To Be Published
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8V0C
 | | Structure of TDP1 catalytic domain complexed with compound IB06 | | Descriptor: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of TDP1 complexed with inhibitors
To Be Published
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8UV1
 | | Structure of TDP1 complexed with compound IB01 | | Descriptor: | 1,2-ETHANEDIOL, 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of TDP1 complexed with compound IB01
To Be Published
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8UZZ
 | | Structure of TDP1 catalytic domain complexed with compound IB03 | | Descriptor: | (8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-16 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structureal analysis of TDP1 in complex with inhbitors
To Be Published
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9B3B
 | | Structure of TDP1 complexed with compound IB09 | | Descriptor: | (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | Deposit date: | 2024-03-18 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure of TDP1 complexed with compound IB09
To Be Published
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3ET2
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1AFF
 | | DNA QUADRUPLEX CONTAINING GGGG TETRADS AND (T.A).A TRIADS, NMR, 8 STRUCTURES | | Descriptor: | QUADRUPLEX DNA (5'-D(TP*AP*GP*G)-3') | | Authors: | Kettani, A, Bouaziz, S, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1997-03-06 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Bombyx mori single repeat telomeric DNA sequence forms a G-quadruplex capped by base triads.
Nat.Struct.Biol., 4, 1997
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1D6D
 | | SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT. | | Descriptor: | 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3' | | Authors: | Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J. | | Deposit date: | 1999-10-13 | | Release date: | 2000-01-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
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3ET3
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1DCH
 | | CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR | | Descriptor: | DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION | | Authors: | Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T. | | Deposit date: | 1995-01-24 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator.
Science, 268, 1995
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1B3P
 | | 5'-D(*GP*GP*AP*GP*GP*AP*T)-3' | | Descriptor: | DNA (5'-D(*GP*GP*AP*GP*GP*AP*T)-3') | | Authors: | Kettani, A, Bouaziz, S, Skripkin, E, Majumdar, A, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1998-12-14 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Interlocked mismatch-aligned arrowhead DNA motifs.
Structure Fold.Des., 7, 1999
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3ET0
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3ET1
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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4JHR
 | | An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs | | Descriptor: | G-protein-signaling modulator 2 | | Authors: | Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Structure, 21, 2013
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1YVL
 | | Structure of Unphosphorylated STAT1 | | Descriptor: | 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta | | Authors: | Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
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2AI2
 | | Purine nucleoside phosphorylase from calf spleen | | Descriptor: | ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | | Deposit date: | 2005-07-28 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
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2ATG
 | | NMR structure of Retrocyclin-2 in SDS | | Descriptor: | Retrocyclin-2 | | Authors: | Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J. | | Deposit date: | 2005-08-24 | | Release date: | 2005-09-06 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin
Biochemistry, 46, 2007
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3LF5
 | | Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution | | Descriptor: | Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Deng, B, Parthasarathy, S, Wang, W, Gibney, B.R, Battaile, K.P, Lovell, S, Benson, D.R, Zhu, H. | | Deposit date: | 2010-01-15 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain.
J.Biol.Chem., 285, 2010
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3L82
 | | X-ray Crystal structure of TRF1 and Fbx4 complex | | Descriptor: | F-box only protein 4, Telomeric repeat-binding factor 1 | | Authors: | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | | Deposit date: | 2009-12-29 | | Release date: | 2010-03-09 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4)
Dev.Cell, 18, 2010
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2AI3
 | | Purine nucleoside phosphorylase from calf spleen | | Descriptor: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | | Deposit date: | 2005-07-28 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
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2AI1
 | | Purine nucleoside phosphorylase from calf spleen | | Descriptor: | ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | | Deposit date: | 2005-07-28 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
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2ARG
 | | FORMATION OF AN AMINO ACID BINDING POCKET THROUGH ADAPTIVE ZIPPERING-UP OF A LARGE DNA HAIRPIN LOOP, NMR, 9 STRUCTURES | | Descriptor: | ARGININEAMIDE, DNA APTAMER [5'-D (*TP*GP*AP*CP*CP*AP*GP*GP*GP*CP*AP*AP*AP*CP*GP*GP*TP*AP* GP*GP*TP*GP*AP*GP*TP*GP*GP*TP*CP*A)-3'] | | Authors: | Lin, C.H, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1998-08-19 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Formation of an amino-acid-binding pocket through adaptive zippering-up of a large DNA hairpin loop.
Chem.Biol., 5, 1998
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3MX2
 | | Lassa fever virus Nucleoprotein complexed with dTTP | | Descriptor: | Nucleoprotein, THYMIDINE-5'-TRIPHOSPHATE, ZINC ION | | Authors: | Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2010-05-06 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
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8CW2
 | | Crystal structure of TDP1 complexed with compound XZ760 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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