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7DLY
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BU of 7dly by Molmil
Crystal structure of Arabidopsis ACS7 mutant in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7DLW
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Crystal structure of Arabidopsis ACS7 in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
3WLW
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Molecular Architecture of the ErbB2 Extracellular Domain Homodimer
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, Antibody H Chain, ...
著者Hu, S, Lou, Z.Y, Guo, Y.J.
登録日2013-11-15
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.088 Å)
主引用文献Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
4EQ2
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BU of 4eq2 by Molmil
Crystal Structure Analysis of Chicken Interferon Gamma Receptor Alpha Chain
分子名称: Interferon gamma receptor 1
著者Ping, Z, Qi, J, Lu, G, Shi, Y, Wang, X, Gao, G.F, Wang, M.
登録日2012-04-18
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crystal structure of the interferon gamma receptor alpha chain from chicken reveals an undetected extra helix compared with the human counterparts.
J.Interferon Cytokine Res., 34, 2014
4EQ3
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BU of 4eq3 by Molmil
Crystal Structure Analysis of Selenomethionine (Se-Met) Substituted Chicken Interferon Gamma Receptor Alpha Chain
分子名称: Interferon gamma receptor 1
著者Ping, Z, Qi, J, Lu, G, Shi, Y, Wang, X, Gao, G.F, Wang, M.
登録日2012-04-18
公開日2013-04-24
最終更新日2014-05-21
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of the interferon gamma receptor alpha chain from chicken reveals an undetected extra helix compared with the human counterparts.
J.Interferon Cytokine Res., 34, 2014
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
3R24
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Crystal structure of nsp10/nsp16 complex of SARS coronavirus
分子名称: 2'-O-methyl transferase, Non-structural protein 10 and Non-structural protein 11, S-ADENOSYLMETHIONINE, ...
著者Liu, X, Guo, D, Su, C, Chen, Y.
登録日2011-03-13
公開日2011-10-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural insights into the mechanisms of SARS coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex.
Plos Pathog., 7, 2011
3AL4
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BU of 3al4 by Molmil
Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus
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, Hemagglutinin, ...
著者Zhang, W, Qi, J.X, Shi, Y, Li, Q, Yan, J.H, Gao, G.F.
登録日2010-07-22
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.872 Å)
主引用文献Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus
Protein Cell, 1, 2010
6JN4
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
4CXP
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BU of 4cxp by Molmil
Structure of bifunctional endonuclease (AtBFN2) from Arabidopsis thaliana in complex with sulfate
分子名称: ENDONUCLEASE 2, PENTAETHYLENE GLYCOL, SULFATE ION, ...
著者Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
登録日2014-04-08
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
4CWM
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High-glycosylation crystal structure of the bifunctional endonuclease (AtBFN2) from Arabidopsis thaliana
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ZINC ION, ...
著者Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
登録日2014-04-03
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
4CXO
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bifunctional endonuclease in complex with ssDNA
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ENDONUCLEASE 2, SULFATE ION, ...
著者Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
登録日2014-04-08
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
4CXV
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Structure of bifunctional endonuclease (AtBFN2) in complex with phosphate.
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, ENDONUCLEASE 2, ...
著者Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J.
登録日2014-04-09
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana.
Plos One, 9, 2014
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H05
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Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
5T92
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
分子名称: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor
著者Kirby, C, Baird, J.
登録日2016-09-09
公開日2017-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
5T97
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
分子名称: (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor
著者Kirby, C.A, Baird, J.
登録日2016-09-09
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
著者Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-04-08
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
5TIJ
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Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
分子名称: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-10-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
分子名称: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2007-09-18
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007

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