4DO9
 
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer | | Descriptor: | 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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7W96
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7WEI
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7WE3
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4DOC
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer | | Descriptor: | 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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7W8T
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7W8R
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | Descriptor: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | Deposit date: | 2018-06-15 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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8JZY
 | | RPA70N-RAD9 fusion | | Descriptor: | Cell cycle checkpoint control protein RAD9A, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Fu, W.M, Wu, Y.Y, Zhou, C. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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8JZV
 | | RPA70N-ETAA1 fusion | | Descriptor: | Ewing's tumor-associated antigen 1, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Fu, W.M, Wu, Y.Y, Zhou, C. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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8K00
 | | RPA70N-MRE11 fusion | | Descriptor: | Double-strand break repair protein MRE11, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Fu, W.M, Wu, Y.Y, Zhou, C. | | Deposit date: | 2023-07-07 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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5XE1
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943 | | Descriptor: | 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, J, Wu, U, Liu, J. | | Deposit date: | 2017-03-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017
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7XUW
 | | Crystal structure of RPA70N-BLMp2 fusion | | Descriptor: | fusion protein of Replication protein A 70 kDa DNA-binding subunit and Bloom syndrome protein | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7XV1
 | | Crystal structure of RPA70N-HelB fusion | | Descriptor: | DNA helicase B, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7XUV
 | | Crystal structure of RPA70N-RMI1 fusion | | Descriptor: | RecQ-mediated genome instability protein 1, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7XV0
 | | Crystal structure of RPA70N-BLMp1 fusion | | Descriptor: | Bloom syndrome protein, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7XUT
 | | Crystal structure of RPA70N-WRN fusion | | Descriptor: | fusion protein of Replication protein A 70 kDa DNA-binding subunit and Werner syndrome ATP-dependent helicase | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-19 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7XV4
 | | Crystal structure of RPA70N-ATRIP fusion | | Descriptor: | ATR-interacting protein, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C. | | Deposit date: | 2022-05-20 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
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7YW0
 | | Bacteroides fragilis Hcp5 | | Descriptor: | Bacterodales T6SS protein TssD (Hcp) | | Authors: | Wen, Y, He, W, Bai, Y. | | Deposit date: | 2022-08-20 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and assembly of type VI secretion system cargo delivery vehicle.
Cell Rep, 42, 2023
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5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5QTU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5QTW
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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5QTV
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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5QTX
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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5QTY
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-29 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
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