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4PSW
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BU of 4psw by Molmil
Crystal structure of histone acetyltransferase complex
分子名称: COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ...
著者Yang, M, Li, Y.
登録日2014-03-08
公開日2014-07-09
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
1ZA7
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BU of 1za7 by Molmil
The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution.
分子名称: Coat protein
著者Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E.
登録日2005-04-05
公開日2006-03-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics.
J.Virol., 80, 2006
2MHM
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BU of 2mhm by Molmil
Solution structure of cytochrome c Y67H
分子名称: Cytochrome c iso-1, HEME C
著者Lan, W.X, Wang, Z.H, Yang, Z.Z, Ying, T.L, Wu, H.M, Tan, X.S, Cao, C.Y, Huang, Z.X.
登録日2013-11-26
公開日2014-10-29
実験手法SOLUTION NMR
主引用文献Structural Basis for Cytochrome c Y67H Mutant to Function as a Peroxidase
Plos One, 9, 2014
4HRE
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BU of 4hre by Molmil
Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide
分子名称: Annexin A2, Helicase-like transcription factor, Protein S100-A10
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7852 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4HRH
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BU of 4hrh by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide
分子名称: Helicase-like transcription factor, Protein S100-A10, Annexin A2, ...
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
4HRG
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BU of 4hrg by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with AHNAK1 Peptide
分子名称: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
5U6J
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BU of 5u6j by Molmil
Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
分子名称: 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ...
著者Wei, A.
登録日2016-12-08
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Neutral macrocyclic factor VIIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
6LYU
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BU of 6lyu by Molmil
Structure of the BAM complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Xiao, L, Huang, Y.
登録日2020-02-15
公開日2021-01-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6LYQ
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BU of 6lyq by Molmil
Structure of the BAM complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Xiao, L, Huang, Y.
登録日2020-02-15
公開日2021-01-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6LYR
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BU of 6lyr by Molmil
Structure of the BAM complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Xiao, L, Huang, Y.
登録日2020-02-15
公開日2021-01-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6M4S
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BU of 6m4s by Molmil
Crystal Structure Analysis of the cytochrome P450 CYP-Sb21
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cytochrome P450 hydroxylase sb21, ...
著者Li, F.W, Li, S.Y.
登録日2020-03-09
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided manipulation of the regioselectivity of the cyclosporine A hydroxylase CYP-sb21 from Sebekia benihana .
Synth Syst Biotechnol, 5, 2020
4P0N
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BU of 4p0n by Molmil
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
分子名称: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
著者Chmait, S.
登録日2014-02-21
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
6LYS
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BU of 6lys by Molmil
Structure of the BAM complex
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Xiao, L, Huang, Y.
登録日2020-02-15
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
6MC1
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BU of 6mc1 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ...
著者Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
登録日2018-08-30
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
5UJ3
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BU of 5uj3 by Molmil
Crystal structure of the KPC-2 beta-lactamase complexed with hydrolyzed cefotaxime
分子名称: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Pemberton, O.A, Chen, Y.
登録日2017-01-16
公開日2017-04-26
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis of Substrate Recognition and Product Release by the Klebsiella pneumoniae Carbapenemase (KPC-2).
J. Med. Chem., 60, 2017
6LRM
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BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
分子名称: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
著者Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2020-01-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBK
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Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
7YVB
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BU of 7yvb by Molmil
Aplysia californica FaNaC in ligand bound state
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, FMRFamide-gated Na+ channel, ...
著者Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
登録日2022-08-19
公開日2023-08-09
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
7YVC
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Aplysia californica FaNaC in apo state
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, CALCIUM ION, ...
著者Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
登録日2022-08-19
公開日2023-08-09
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
7F6V
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Cryo-EM structure of the human TACAN channel in a closed state
分子名称: CHOLESTEROL, Ion channel TACAN
著者Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q.
登録日2021-06-25
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022

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