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8E2M
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BU of 8e2m by Molmil
Bruton's tyrosine kinase (BTK) with compound 13
分子名称: (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK
著者Alexander, R, Milligan, C.M.
登録日2022-08-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
分子名称: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
著者Pliotas, C, Naismith, J.H.
登録日2017-03-03
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
4LI4
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BU of 4li4 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Nucleoprotein
著者Lin, S.Y, Liu, C.L, Hou, M.H.
登録日2013-07-02
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4LM9
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BU of 4lm9 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Nucleoprotein
著者Lin, S.Y, Liu, C.L, Hou, M.H.
登録日2013-07-10
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4LMC
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BU of 4lmc by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Nucleoprotein
著者Lin, S.Y, Liu, C.L, Hou, M.H.
登録日2013-07-10
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4NL9
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BU of 4nl9 by Molmil
Crystal structure of the human Anks3-SAM/Anks6-SAM heterodimer
分子名称: Ankyrin repeat and SAM domain-containing protein 3, Ankyrin repeat and SAM domain-containing protein 6, MAGNESIUM ION
著者Leettola, C.N, Cascio, D, Bowie, J.U.
登録日2013-11-13
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of the SAM domain of the PKD-related protein ANKS6 and its interaction with ANKS3.
Bmc Struct.Biol., 14, 2014
6G05
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BU of 6g05 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
7V90
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BU of 7v90 by Molmil
Telomeric mononucleosome
分子名称: DNA (145-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-24
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7VA4
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Telomeric tetranucleosome in open state
分子名称: DNA (539-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-27
公開日2022-07-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7V9J
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BU of 7v9j by Molmil
Telomeric trinucleosome
分子名称: DNA (408-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-25
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7V9C
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BU of 7v9c by Molmil
Telomeric Dinucleosome in open state
分子名称: DNA (275-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-24
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7V9S
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BU of 7v9s by Molmil
Telomeric trinucleosome in open state
分子名称: DNA (408-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-26
公開日2022-07-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7V9K
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BU of 7v9k by Molmil
Telomeric tetranucleosome
分子名称: DNA (539-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-25
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
7V96
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BU of 7v96 by Molmil
Telomeric Dinucleosome
分子名称: DNA (275-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-24
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
8T85
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BU of 8t85 by Molmil
Structure of RssB bound to beryllofluoride
分子名称: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Brugger, C, Schwartz, J, Deaconescu, A.M.
登録日2023-06-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
4MI3
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BU of 4mi3 by Molmil
Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21)
分子名称: Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-08-30
公開日2014-07-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines.
Bioorg.Med.Chem., 22, 2014
1KQY
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BU of 1kqy by Molmil
Hevamine Mutant D125A/E127A/Y183F in Complex with Penta-NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hevamine A, ...
著者Rozeboom, H.J, Dijkstra, B.W.
登録日2002-01-08
公開日2002-01-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Expression and characterization of active site mutants of hevamine, a chitinase from the rubber tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1KR0
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BU of 1kr0 by Molmil
Hevamine Mutant D125A/Y183F in Complex with Tetra-NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
著者Rozeboom, H.J, Dijkstra, B.W.
登録日2002-01-08
公開日2002-01-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1KR1
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BU of 1kr1 by Molmil
Hevamine Mutant D125A/E127A in Complex with Tetra-NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
著者Rozeboom, H.J, Dijkstra, B.W.
登録日2002-01-08
公開日2002-01-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
6WE5
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BU of 6we5 by Molmil
Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx
分子名称: Inorganic pyrophosphatase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-01
公開日2020-04-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx.
Acta Crystallogr.,Sect.F, 78, 2022
8SV9
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BU of 8sv9 by Molmil
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
分子名称: (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Schonbrunn, E, Sun, L.
登録日2023-05-15
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
6WSA
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BU of 6wsa by Molmil
Crystal structure of a betaine aldehyde dehydrogenase from Burkholderia pseudomallei without cofactor
分子名称: 1,2-ETHANEDIOL, NAD/NADP-dependent betaine aldehyde dehydrogenase, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-30
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 78, 2022
6WSB
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Crystal structure of a betaine aldehyde dehydrogenase from Burkholderia pseudomallei bound to cofactor NAD
分子名称: GLYCEROL, NAD/NADP-dependent betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-30
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 78, 2022
6WTS
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CryoEM structure of the C. sordellii lethal toxin TcsL in complex with SEMA6A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SEMA6A, ...
著者Kucharska, I, Rubinstein, J.L, Julien, J.P.
登録日2020-05-03
公開日2020-07-08
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Recognition of Semaphorin Proteins by P. sordellii Lethal Toxin Reveals Principles of Receptor Specificity in Clostridial Toxins.
Cell, 182, 2020
8T4D
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MD65 N332-GT5 SOSIP in complex with RM_N332_08 Fab and RM20A3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-09
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024

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