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4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FOC
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BU of 4foc by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2
分子名称: ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FNX
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BU of 4fnx by Molmil
Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FOD
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BU of 4fod by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36
分子名称: 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FNW
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BU of 4fnw by Molmil
Crystal structure of the apo F1174L anaplastic lymphoma kinase catalytic domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FNZ
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BU of 4fnz by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with piperidine-carboxamide inhibitor 2
分子名称: (3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
6JGX
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BU of 6jgx by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida in complex with Cadmium(II) and DNA
分子名称: CADMIUM ION, CadR, DNA (5'-D(*CP*AP*CP*CP*CP*TP*AP*TP*AP*GP*TP*GP*GP*CP*TP*AP*CP*AP*GP*GP*GP*T)-3'), ...
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-02-15
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
1U9Q
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BU of 1u9q by Molmil
Crystal structure of cruzain bound to an alpha-ketoester
分子名称: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
著者Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S.
登録日2004-08-10
公開日2005-03-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6KH1
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BU of 6kh1 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
5ZND
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BU of 5znd by Molmil
8-mer nanotube derived from 24-mer rHuHF nanocage
分子名称: Ferritin heavy chain
著者Wang, W.M, Wang, L.L, Zang, J.C, Chen, H, Zhao, G.H, Wang, H.F.
登録日2018-04-09
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Selective Elimination of the Key Subunit Interfaces Facilitates Conversion of Native 24-mer Protein Nanocage into 8-mer Nanorings.
J. Am. Chem. Soc., 140, 2018
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
6KH3
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BU of 6kh3 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH4
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BU of 6kh4 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH5
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BU of 6kh5 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6IPO
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BU of 6ipo by Molmil
Ferritin mutant C90A/C102A/C130A/D144C
分子名称: Ferritin heavy chain, MAGNESIUM ION
著者Zang, J, Chen, H, Zhang, X, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
6IPP
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BU of 6ipp by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A/D144C
分子名称: FE (III) ION, Ferritin heavy chain
著者Zang, J, Chen, H, Zhou, K, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
8IMQ
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BU of 8imq by Molmil
Adaptive mutation is mediated by MsyB via its interaction with nucleoid-associated proteins HU and beta-clamp
分子名称: Acidic protein MsyB
著者Liu, B, Chen, H.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Adaptive mutation is mediated by MsyB via its interaction with nucleoid-associated proteins HU and beta-clamp
To Be Published
6J7G
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BU of 6j7g by Molmil
Human H-ferritin mutant-C90A/C102A/C130A/D144C
分子名称: Ferritin heavy chain
著者Zang, J, Chen, H, Zhang, X, Zhao, G.
登録日2019-01-18
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.868 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
6J4M
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BU of 6j4m by Molmil
Thermal treated soybean seed H-2 ferritin
分子名称: Ferritin, MAGNESIUM ION
著者Zhang, X, Zang, J, Chen, H, Zhou, K, Zhao, G.
登録日2019-01-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Thermostability of protein nanocages: the effect of natural extra peptide on the exterior surface.
Rsc Adv, 9, 2019
6JPS
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BU of 6jps by Molmil
Human H chain ferritin mutant-MBP
分子名称: Ferritin
著者Wang, Y, Zang, J, Chen, H.
登録日2019-03-27
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Re-designing ferritin nanocages for mercuric ion detection.
Analyst, 144, 2019
7V6G
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BU of 7v6g by Molmil
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39
分子名称: 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ...
著者Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J.
登録日2021-08-20
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
6IPQ
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BU of 6ipq by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A
分子名称: Ferritin heavy chain, MAGNESIUM ION
著者Zang, J, Chen, H, Wang, Y, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
6IPC
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BU of 6ipc by Molmil
Non-native human ferritin 8-mer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ferritin heavy chain
著者Zang, J.C, Chen, H, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (4.443 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019

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