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4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
分子名称: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
8CIE
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BU of 8cie by Molmil
Crystal structure of the human CDKL5 kinase domain with compound YL-354
分子名称: 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION
著者Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N.
登録日2023-02-09
公開日2023-06-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
8OET
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SFX structure of the class II photolyase complexed with a thymine dimer
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, DNA (14-mer), Deoxyribodipyrimidine photo-lyase, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-03-12
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OKA
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BU of 8oka by Molmil
Human Mitochondrial Lon Y394F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-28
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OF5
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Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Miles, J.A, Hammond, K.L.R, Bayliss, R.
登録日2023-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
8OM7
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BU of 8om7 by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-31
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OJL
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BU of 8ojl by Molmil
Human Mitochondrial Lon Y394E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-24
公開日2024-04-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OXA
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BU of 8oxa by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS
分子名称: (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OYC
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BU of 8oyc by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (100 microsecond timpeoint)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OX7
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BU of 8ox7 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "closed" conformation
分子名称: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OY5
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BU of 8oy5 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (1 nanosecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY8
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BU of 8oy8 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (30 nanosecond timepoint)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY6
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BU of 8oy6 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 nanosecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY9
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BU of 8oy9 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (1 microsecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OYA
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BU of 8oya by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (10 microsecond pump probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY3
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BU of 8oy3 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 picosecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OX6
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BU of 8ox6 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1P conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX8
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BU of 8ox8 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited "open" conformation
分子名称: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OY7
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BU of 8oy7 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (10 nanosecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OXB
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BU of 8oxb by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PC
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OY4
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BU of 8oy4 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (300 ps pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OYB
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BU of 8oyb by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (30 microsecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OX5
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Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023

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