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3OWD
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BU of 3owd by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone II
分子名称: Heat shock protein HSP 90-alpha, N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OWB
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BU of 3owb by Molmil
Crystal Structure of HSP90 with VER-49009
分子名称: 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW6
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BU of 3ow6 by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone I
分子名称: 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2010-09-17
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5XNQ
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BU of 5xnq by Molmil
Crystal structures of human SALM5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Liu, H, Lin, Z, Xu, F.
登録日2017-05-24
公開日2018-01-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structural basis of SALM5-induced PTP delta dimerization for synaptic differentiation
Nat Commun, 9, 2018
3EII
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BU of 3eii by Molmil
Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-16
公開日2009-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
3EJA
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BU of 3eja by Molmil
Magnesium-bound glycoside hydrolase 61 isoform E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-18
公開日2009-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
8JI8
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BU of 8ji8 by Molmil
Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ...
著者Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
登録日2023-05-26
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mosquitoes have evolved two types of prophenoloxidases
To Be Published
7ELG
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BU of 7elg by Molmil
LC3B modificated with a covalent probe
分子名称: 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Fan, S, Wan, W.
登録日2021-04-10
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7EFJ
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BU of 7efj by Molmil
Crystal Structure Analysis of human PIN1
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J.
登録日2021-03-21
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EFX
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BU of 7efx by Molmil
Crystal Structure of human PIN1 complexed with covalent inhibitor
分子名称: 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J, Zhu, R, Pei, Y.
登録日2021-03-23
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7EKV
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BU of 7ekv by Molmil
Crystal Structure of human Pin1 complexed with a covalent inhibitor
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J.
登録日2021-04-06
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
8JIB
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BU of 8jib by Molmil
Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor
著者Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
登録日2023-05-26
公開日2023-11-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mosquitoes have evolved two types of prophenoloxidases
To Be Published
8KB1
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BU of 8kb1 by Molmil
Crystal structure of 11JD
分子名称: Beta2-microglobulin, MHC class I antigen, peptide of AIV
著者Tang, Z, Zhang, N.
登録日2023-08-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
8KB0
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BU of 8kb0 by Molmil
Crystal structure of 01JD-AEAIIVAMV
分子名称: Beta2-microglobulin, MHC class I antigen alpha chain, peptide of AIV
著者Tang, Z, Zhang, N.
登録日2023-08-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
7F0M
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BU of 7f0m by Molmil
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J.
登録日2021-06-05
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
7WZA
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BU of 7wza by Molmil
An open conformation Form 1 of switch II for RhoA
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Jiang, H, Luo, C.
登録日2022-02-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.50028777 Å)
主引用文献A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
7WZC
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BU of 7wzc by Molmil
An open conformation Form2 of switch II for RhoA GDP-bound state
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Jiang, H, Luo, C.
登録日2022-02-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79944921 Å)
主引用文献A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
7ELN
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BU of 7eln by Molmil
Structure of Csy-AcrIF24-dsDNA
分子名称: 54-MER DNA, AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, ...
著者Zhang, L, Feng, Y.
登録日2021-04-12
公開日2022-04-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELM
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BU of 7elm by Molmil
Structure of Csy-AcrIF24
分子名称: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-04-12
公開日2022-04-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7DTR
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BU of 7dtr by Molmil
Structure of an AcrIF protein
分子名称: AcrIF24
著者Yue, F, Peipei, Y.
登録日2021-01-06
公開日2022-01-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7WE6
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BU of 7we6 by Molmil
Structure of Csy-AcrIF24-dsDNA
分子名称: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-12-22
公開日2022-04-20
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
6IK4
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BU of 6ik4 by Molmil
A Novel M23 Metalloprotease Pseudoalterin from Deep-sea
分子名称: Elastinolytic metalloprotease, GLYCEROL, ZINC ION
著者Zhao, H.L, Tang, B.L, Yang, J, Chen, X.L, Zhang, Y.Z.
登録日2018-10-14
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A predator-prey interaction between a marine Pseudoalteromonas sp. and Gram-positive bacteria.
Nat Commun, 11, 2020
7C8G
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BU of 7c8g by Molmil
Structure of alginate lyase AlyC3
分子名称: Alginate lyase AlyC3, GLYCEROL, SUCCINIC ACID
著者Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
登録日2020-05-30
公開日2020-10-07
最終更新日2020-12-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7C8F
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Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
分子名称: H127A/Y244A mutant of alginate lyase AlyC3 in complex with dimannuronate, MALONATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
登録日2020-05-30
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7V7L
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BU of 7v7l by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex
分子名称: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
著者Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D.
登録日2021-08-21
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022

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