8PEN
 
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site (alternative state of RfaH) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | Deposit date: | 2023-06-14 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8PIM
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site (not complementary scaffold) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | Deposit date: | 2023-06-22 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8PH9
 | | E. coli RNA polymerase paused at ops site (non-complementary scaffold) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | Deposit date: | 2023-06-19 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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8PHK
 | | fully recruited RfaH bound to E. coli transcription complex paused at ops site | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | | Deposit date: | 2023-06-20 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
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5YU9
 | | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2017-11-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
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6DAW
 | | X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate | | Descriptor: | ACETATE ION, ARGININE, FE (II) ION, ... | | Authors: | Mitchell, A.J, Dunham, N.P, Boal, A.K. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
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5GNK
 | | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
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6DB2
 | | X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate | | Descriptor: | 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ... | | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
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6DAZ
 | | X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate | | Descriptor: | (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
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7U34
 | | The structure of phosphoglucose isomerase from Aspergillus fumigatus | | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | | Authors: | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | | Deposit date: | 2022-02-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
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5GTY
 | | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-08-23 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
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6Z7J
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6Z7H
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6Z7I
 | | Crystal structure of CTX-M-15 E166Q mutant apoenzyme | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
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6Z7K
 | | Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam | | Descriptor: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
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7M4T
 | | Menin bound to M-1121 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J. | | Deposit date: | 2021-03-22 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
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3GLK
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6DAX
 | | X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
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3GID
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3G86
 | | Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor | | Descriptor: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Ghate, M. | | Deposit date: | 2009-02-11 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
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6II9
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L3A-44 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L3A-44 Fab, Hemagglutinin, ... | | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2018-10-03 | | Release date: | 2018-10-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
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3H59
 | | Hepatitis C virus polymerase NS5B with thiazine inhibitor 2 | | Descriptor: | N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Harris, S.F, Ghate, M. | | Deposit date: | 2009-04-21 | | Release date: | 2009-09-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
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7VLN
 | | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | | Deposit date: | 2021-10-05 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
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6II8
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4B-18 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L4B-18 Fab, Hemagglutinin, ... | | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2018-10-03 | | Release date: | 2018-10-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
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6II4
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4A-14 | | Descriptor: | Heavy chain of L4A-14 Fab, Hemagglutinin, Light chain of L4A-14 Fab | | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2018-10-03 | | Release date: | 2018-10-24 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
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