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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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