8W8B
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![BU of 8w8b by Molmil](/molmil-images/mine/8w8b) | Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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8W87
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![BU of 8w87 by Molmil](/molmil-images/mine/8w87) | Cryo-EM structure of the METH-TAAR1 complex | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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8W8A
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![BU of 8w8a by Molmil](/molmil-images/mine/8w8a) | Cryo-EM structure of the RO5256390-TAAR1 complex | Descriptor: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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8W89
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![BU of 8w89 by Molmil](/molmil-images/mine/8w89) | Cryo-EM structure of the PEA-bound TAAR1-Gs complex | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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6LZM
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![BU of 6lzm by Molmil](/molmil-images/mine/6lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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7XTZ
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![BU of 7xtz by Molmil](/molmil-images/mine/7xtz) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-1 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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6K5K
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![BU of 6k5k by Molmil](/molmil-images/mine/6k5k) | |
7XU1
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![BU of 7xu1 by Molmil](/molmil-images/mine/7xu1) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-122 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU4
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![BU of 7xu4 by Molmil](/molmil-images/mine/7xu4) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU5
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![BU of 7xu5 by Molmil](/molmil-images/mine/7xu5) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU3
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![BU of 7xu3 by Molmil](/molmil-images/mine/7xu3) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU6
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![BU of 7xu6 by Molmil](/molmil-images/mine/7xu6) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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5ZKP
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![BU of 5zkp by Molmil](/molmil-images/mine/5zkp) | Crystal structure of the human platelet-activating factor receptor in complex with SR 27417 | Descriptor: | FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor | Authors: | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | Deposit date: | 2018-03-25 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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8W8K
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![BU of 8w8k by Molmil](/molmil-images/mine/8w8k) | Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation | Descriptor: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Xu, C, Zhang, X.L, Bai, F. | Deposit date: | 2023-09-03 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies. Jacs Au, 4, 2024
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8W4V
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![BU of 8w4v by Molmil](/molmil-images/mine/8w4v) | Crystal structure of human HSP90 in complex with compound 4 | Descriptor: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Xu, C, Zhang, X.L, Bai, F. | Deposit date: | 2023-08-25 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies. Jacs Au, 4, 2024
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6K5G
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![BU of 6k5g by Molmil](/molmil-images/mine/6k5g) | |
6LJT
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![BU of 6ljt by Molmil](/molmil-images/mine/6ljt) | Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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4HIL
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![BU of 4hil by Molmil](/molmil-images/mine/4hil) | 1.25A Resolution Structure of Rat Type B Cytochrome b5 | Descriptor: | Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | Authors: | Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R. | Deposit date: | 2012-10-11 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25A Resolution Structure of Rat Type B Cytochrome b5 To be Published
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2K2V
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![BU of 2k2v by Molmil](/molmil-images/mine/2k2v) | |
6LWF
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![BU of 6lwf by Molmil](/molmil-images/mine/6lwf) | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing guanidinohydantoin (Gh) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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6LWC
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![BU of 6lwc by Molmil](/molmil-images/mine/6lwc) | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing spiroiminodihydantoin (Sp) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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6LWG
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![BU of 6lwg by Molmil](/molmil-images/mine/6lwg) | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing guanidinohydantoin (Gh) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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6LWA
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![BU of 6lwa by Molmil](/molmil-images/mine/6lwa) | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing 5-hydroxyuracil (5-OHU) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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6LWB
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![BU of 6lwb by Molmil](/molmil-images/mine/6lwb) | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing 5-hydroxyuracil (5-OHU) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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6LWN
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![BU of 6lwn by Molmil](/molmil-images/mine/6lwn) | Crystal structure of human NEIL1(R242, G249P) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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