7MRR
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![BU of 7mrr by Molmil](/molmil-images/mine/7mrr) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-05-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7MQV
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![BU of 7mqv by Molmil](/molmil-images/mine/7mqv) | Crystal structure of truncated (ACT domain removed) prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shabalin, I.G, Gritsunov, A, Gabryelska, A, Czub, M.P, Grabowski, M, Cooper, D.R, Christendat, D, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-06 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of Bacillus anthracis prephenate dehydrogenase identified an ACT regulatory domain and a novel mode of metabolic regulation for proteins within the prephenate dehydrogenase family of enzyme to be published
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7M7R
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![BU of 7m7r by Molmil](/molmil-images/mine/7m7r) | Human DNA Pol eta S113A with rA-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7Q
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![BU of 7m7q by Molmil](/molmil-images/mine/7m7q) | Human DNA Pol eta S113A with dT-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M87
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![BU of 7m87 by Molmil](/molmil-images/mine/7m87) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 230 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M81
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![BU of 7m81 by Molmil](/molmil-images/mine/7m81) | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 100 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M82
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![BU of 7m82 by Molmil](/molmil-images/mine/7m82) | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 300 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M85
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![BU of 7m85 by Molmil](/molmil-images/mine/7m85) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 80 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M88
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![BU of 7m88 by Molmil](/molmil-images/mine/7m88) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 300 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7N
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![BU of 7m7n by Molmil](/molmil-images/mine/7m7n) | Human DNA Pol eta with 2'-FA-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*(AF5))-3'), DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7S
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![BU of 7m7s by Molmil](/molmil-images/mine/7m7s) | Human DNA Pol eta S113A with dT-ended primer and 0.1 mM dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7T
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![BU of 7m7t by Molmil](/molmil-images/mine/7m7t) | Human DNA Pol eta S113A with dT-ended primer and dATP: in crystallo reaction for 0 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7Y
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![BU of 7m7y by Molmil](/molmil-images/mine/7m7y) | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 0 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M89
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![BU of 7m89 by Molmil](/molmil-images/mine/7m89) | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 0 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8B
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![BU of 7m8b by Molmil](/molmil-images/mine/7m8b) | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 140 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8D
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![BU of 7m8d by Molmil](/molmil-images/mine/7m8d) | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 300 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7M
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![BU of 7m7m by Molmil](/molmil-images/mine/7m7m) | Human DNA Pol eta with rA-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7Z
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![BU of 7m7z by Molmil](/molmil-images/mine/7m7z) | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 40 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7L
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![BU of 7m7l by Molmil](/molmil-images/mine/7m7l) | Human DNA Pol eta with dA-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M83
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![BU of 7m83 by Molmil](/molmil-images/mine/7m83) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 0 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7U
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![BU of 7m7u by Molmil](/molmil-images/mine/7m7u) | Human DNA Pol eta S113A with dT-ended primer and dATP: in crystallo reaction for 480s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8A
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![BU of 7m8a by Molmil](/molmil-images/mine/7m8a) | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 40 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7P
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![BU of 7m7p by Molmil](/molmil-images/mine/7m7p) | Human DNA Pol eta S113A with dA-ended primer and dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*A)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M7O
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![BU of 7m7o by Molmil](/molmil-images/mine/7m7o) | Human DNA Pol eta with dT-ended primer and 0.1 mM dAMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m84 by Molmil](/molmil-images/mine/7m84) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 40 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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