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PDB: 791 件

7JIO
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BU of 7jio by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J23 immobile Holliday junction with R3 symmetry
分子名称: DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*GP*TP*GP*TP*CP*GP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*GP*AP*CP*TP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-23
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JJ5
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Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J10 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*GP*TP*GP*TP*CP*GP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-24
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JJX
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BU of 7jjx by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J5 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*CP*GP*TP*GP*TP*CP*GP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-27
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.107 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JKJ
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BU of 7jkj by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J8 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*AP*GP*AP*CP*GP*AP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-28
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.077 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JP9
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BU of 7jp9 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J8 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.157 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
5FNU
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BU of 5fnu by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FNT
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BU of 5fnt by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FZJ
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BU of 5fzj by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2016-03-14
公開日2016-04-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FNR
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BU of 5fnr by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
6ATG
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BU of 6atg by Molmil
Insights to complement factor H recruitment by the borrelial CspZ protein as revealed by structural analysis
分子名称: Complement regulator-acquiring surface protein 2 (CRASP-2), HCG40889, isoform CRA_b, ...
著者Liu, A, Yan, H, Wu, Y, Li, Y, Liu, J.
登録日2017-08-29
公開日2018-09-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights to complement factor H recruitment by the borrelial CspZ protein as revealed by structural analysis
To Be Published
1EQ0
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BU of 1eq0 by Molmil
SOLUTION STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH MGAMPPCP
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
著者Shi, G, Yan, H.
登録日2000-03-30
公開日2001-11-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
2HK7
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BU of 2hk7 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution
分子名称: MERCURY (II) ION, Shikimate dehydrogenase
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
2HK9
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BU of 2hk9 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
2HK8
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BU of 2hk8 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution
分子名称: Shikimate dehydrogenase
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
7JFW
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BU of 7jfw by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J10 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*CP*AP*CP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-17
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.012 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JFU
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BU of 7jfu by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J5 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*CP*GP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*GP*GP*AP*CP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-17
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.164 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JFV
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BU of 7jfv by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J7 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*AP*GP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*GP*TP*AP*CP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-17
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JFX
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BU of 7jfx by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J16 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*CP*CP*AP*CP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-17
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JFT
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BU of 7jft by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J2 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*CP*GP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-07-17
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.158 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
2G1J
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BU of 2g1j by Molmil
Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom resolution
分子名称: SULFATE ION, Shikimate kinase
著者Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X.
登録日2006-02-14
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue.
Biochemistry, 45, 2006
2G1K
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BU of 2g1k by Molmil
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SULFATE ION, ...
著者Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X.
登録日2006-02-14
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue.
Biochemistry, 45, 2006
2M6U
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BU of 2m6u by Molmil
NMR Structure of CbpAN from Streptococcus pneumoniae
分子名称: Choline binding protein A
著者Liu, A, Yan, H, Achila, D, Martinez-Hackert, E, Li, Y, Banerjee, R.
登録日2013-04-10
公開日2014-04-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
2NM2
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BU of 2nm2 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2R)-neopterin at 1.50 Angstrom resolution
分子名称: Dihydroneopterin aldolase, L-NEOPTERIN
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-10-20
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007
2O90
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BU of 2o90 by Molmil
Atomic resolution crystal structure of E.coli dihydroneopterin aldolase in complex with neopterin
分子名称: Dihydroneopterin aldolase, L-NEOPTERIN
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-12-12
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystallographic and molecular dynamics simulation analysis of Escherichia coli dihydroneopterin aldolase.
Cell Biosci, 4, 2014
2NM3
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BU of 2nm3 by Molmil
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution
分子名称: ACETATE ION, D-MONAPTERIN, Dihydroneopterin aldolase
著者Blaszczyk, J, Ji, X, Yan, H.
登録日2006-10-20
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase.
J.Mol.Biol., 368, 2007

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