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5UZD
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BU of 5uzd by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3')
著者Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
登録日2017-02-26
公開日2017-04-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
4GC9
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BU of 4gc9 by Molmil
Crystal structure of murine TFB1M in complex with SAM
分子名称: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ...
著者Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
登録日2012-07-30
公開日2013-07-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
4GC5
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BU of 4gc5 by Molmil
Crystal structure of murine TFB1M
分子名称: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial
著者Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
登録日2012-07-29
公開日2013-07-10
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
6LQH
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BU of 6lqh by Molmil
High resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
6LQJ
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Low resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
3P6Y
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BU of 3p6y by Molmil
CF Im25-CF Im68-UGUAA complex
分子名称: 5'-R(*UP*GP*UP*AP*A)-3', Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6
著者Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M.
登録日2010-10-11
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of pre-mRNA recognition by the human cleavage factor Im complex
To be Published
3P5T
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BU of 3p5t by Molmil
CFIm25-CFIm68 complex
分子名称: Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6
著者Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M.
登録日2010-10-11
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of pre-mRNA recognition by the human cleavage factor Im complex
To be Published
7CH7
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BU of 7ch7 by Molmil
Cryo-EM structure of E.coli MlaFEB
分子名称: Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, Phospholipid ABC transporter ATP-binding protein MlaF
著者Zhou, C, Shi, H, Huang, Y.
登録日2020-07-05
公開日2021-05-19
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CHA
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BU of 7cha by Molmil
Cryo-EM structure of P.aeruginosa MlaFEBD with AMPPNP
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-05-19
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CH6
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Cryo-EM structure of E.coli MlaFEB with AMPPNP
分子名称: Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-08-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CH9
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Cryo-EM structure of P.aeruginosa MlaFEBD
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, Probable ATP-binding component of ABC transporter, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CH8
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Cryo-EM structure of P.aeruginosa MlaFEBD with ADP-V
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADP METAVANADATE, MAGNESIUM ION, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7ED5
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BU of 7ed5 by Molmil
A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B.
登録日2021-03-15
公開日2022-02-16
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase.
Nat Commun, 13, 2022
7EFO
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LptB2FG-LPS from Klebsiella pneumoniae in nanodiscs
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, ...
著者Luo, Q, Shi, H.
登録日2021-03-22
公開日2022-03-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM structures of LptB 2 FG and LptB 2 FGC from Klebsiella pneumoniae in complex with lipopolysaccharide.
Biochem.Biophys.Res.Commun., 571, 2021
6D0D
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BU of 6d0d by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-087-13
分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2018-04-10
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
3WZJ
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BU of 3wzj by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
分子名称: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WZK
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
5UZI
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BU of 5uzi by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNAm1A16 structure
分子名称: DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*(M1A)P*AP*AP*AP*AP*AP*TP*CP*G)-3')
著者Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
登録日2017-02-26
公開日2017-04-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
3WYX
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BU of 3wyx by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
分子名称: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-09
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WYY
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
分子名称: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
登録日2014-09-10
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WO3
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Crystal structure of IL-18 in complex with IL-18 receptor alpha
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tsutsumi, N, Kimura, T, Arita, K, Ariyoshi, M, Ohnishi, H, Kondo, N, Shirakawa, M, Kato, Z, Tochio, H.
登録日2013-12-19
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis for receptor recognition of human interleukin-18
Nat Commun, 5, 2014
8IP8
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Wheat 80S ribosome stalled on AUG-Stop boron dependently
分子名称: 18S ribosomal RNA, 40S ribosomal protein eL8, 40S ribosomal protein eS1, ...
著者Yokoyama, T, Tanaka, M, Saito, H, Nishimoto, M, Tsuda, K, Sotta, N, Shigematsu, H, Shirouzu, M, Iwasaki, S, Ito, T, Fujiwara, T.
登録日2023-03-14
公開日2024-02-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1.
Nat.Chem.Biol., 20, 2024
3X3Y
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Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by histamine
分子名称: COPPER (II) ION, GLYCEROL, POTASSIUM ION, ...
著者Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
登録日2015-03-10
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
3X42
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Crystal structure of copper amine oxidase from Arthrobacter globiformis in the presence of sodium bromide
分子名称: BROMIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
登録日2015-03-10
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.875 Å)
主引用文献Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
6IP8
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Cryo-EM structure of the HCV IRES dependently initiated CMV-stalled 80S ribosome (Structure iv)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019

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