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PDB: 621 件

6EBV
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Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan
分子名称: ADENOSINE-5'-DIPHOSPHATE, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H, Park, H.
登録日2018-08-07
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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
8OY7
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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
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
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
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
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
6AWH
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BU of 6awh by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-04
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6DO2
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BU of 6do2 by Molmil
Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine
分子名称: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Endoplasmic reticulum chaperone BiP
著者Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W.
登録日2018-06-08
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine
To Be Published
8OET
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BU of 8oet by Molmil
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
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
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
5VKQ
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BU of 5vkq by Molmil
Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L
著者Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y.
登録日2017-04-22
公開日2017-06-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
6F27
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BU of 6f27 by Molmil
NMR solution structure of non-bound [des-Arg10]-kallidin (DAKD)
分子名称: DAKD
著者Richter, C, Jonker, H.R.A, Schwalbe, H, Joedicke, L, Mao, J, Kuenze, G, Reinhart, C, Kalavacherla, T, Meiler, J, Preu, J, Michel, H, Glaubitz, C.
登録日2017-11-23
公開日2018-01-10
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
8E3N
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BU of 8e3n by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with rifamycin S
分子名称: Nuclear receptor subfamily 1 group I member 2, Rifamycin S
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Chen, T.
登録日2022-08-17
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EQZ
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BU of 8eqz by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6
分子名称: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
登録日2022-10-11
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F5Y
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BU of 8f5y by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T.
登録日2022-11-15
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
6AWG
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BU of 6awg by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
分子名称: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6SMH
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BU of 6smh by Molmil
Cryo-electron microscopy structure of a RbcL-Raf1 supercomplex from Synechococcus elongatus PCC 7942
分子名称: Ribulose bisphosphate carboxylase large chain, Rubisco accumulation factor 1 (RAF1) peptide
著者Huang, F, Kong, W.-W, Sun, Y, Chen, T, Dykes, G.F, Jiang, Y.L, Liu, L.N.
登録日2019-08-21
公開日2020-07-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Rubisco accumulation factor 1 (Raf1) plays essential roles in mediating Rubisco assembly and carboxysome biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FPE
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BU of 8fpe by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP
分子名称: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
登録日2023-01-04
公開日2023-03-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
6AWJ
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BU of 6awj by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWI
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BU of 6awi by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan
分子名称: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published

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件を2025-04-09に公開中

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