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5UVC
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Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
分子名称: Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION
著者Hoffman, I.D, Lawson, J.D.
登録日2017-02-20
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
5UUU
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BU of 5uuu by Molmil
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ...
著者Hoffman, I.D, Lawson, J.D.
登録日2017-02-17
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
3S6Y
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BU of 3s6y by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,6-sialyllactose
分子名称: N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
著者Reiter, D.M, Dermody, T.S, Stehle, T.
登録日2011-05-26
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
3S6Z
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Structure of reovirus attachment protein sigma1 in complex with alpha-2,8-disialyllactose
分子名称: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Outer capsid protein sigma-1
著者Reiter, D.M, Dermody, T.S, Stehle, T.
登録日2011-05-26
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
3S6X
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Structure of reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
著者Reiter, D.M, Dermody, T.S, Stehle, T.
登録日2011-05-26
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
4I3C
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BU of 4i3c by Molmil
Crystal structure of fluorescent protein UnaG N57Q mutant
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bilirubin-inducible fluorescent protein UnaG
著者Kumagai, A, Ando, R, Miyatake, H, Miyawaki, A.
登録日2012-11-26
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献A bilirubin-inducible fluorescent protein from eel muscle
Cell(Cambridge,Mass.), 153, 2013
4I3B
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BU of 4i3b by Molmil
Crystal structure of fluorescent protein UnaG wild type
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bilirubin-inducible fluorescent protein UnaG, DI(HYDROXYETHYL)ETHER
著者Kumagai, A, Ando, R, Miyatake, H, Miyawaki, A.
登録日2012-11-26
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献A bilirubin-inducible fluorescent protein from eel muscle
Cell(Cambridge,Mass.), 153, 2013
4I3D
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BU of 4i3d by Molmil
Crystal structure of fluorescent protein UnaG N57A mutant
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bilirubin-inducible fluorescent protein UnaG
著者Kumagai, A, Ando, R, Miyatake, H, Miyawaki, A.
登録日2012-11-26
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献A bilirubin-inducible fluorescent protein from eel muscle
Cell(Cambridge,Mass.), 153, 2013
6LK4
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BU of 6lk4 by Molmil
Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION
著者Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T.
登録日2019-12-18
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
5XJM
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BU of 5xjm by Molmil
Complex structure of angiotensin II type 2 receptor with Fab
分子名称: FabH, FabL, Sar1, ...
著者Asada, H, Horita, S, Shimamura, T, Iwata, S.
登録日2017-05-02
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog
Nat. Struct. Mol. Biol., 25, 2018
5XLI
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BU of 5xli by Molmil
Structure of anti-Angiotensin II type2 receptor antibody (D5711-4A03)
分子名称: FabH, FabL
著者Asada, H, Horita, S, Iwata, S, Hirata, K.
登録日2017-05-10
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog.
Nat. Struct. Mol. Biol., 25, 2018
6KS2
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BU of 6ks2 by Molmil
Structure of anti-Ghrelin receptor antibody
分子名称: Fab7881 Heavy Chain (FabH), Fab7881 Light Chain (FabL)
著者Shiimura, Y, Horita, S, Asada, H, Hirata, K, Iwata, S, Kojima, M.
登録日2019-08-23
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode.
Nat Commun, 11, 2020
6KO5
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BU of 6ko5 by Molmil
Complex structure of Ghrelin receptor with Fab
分子名称: 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one, Chimera of Soluble cytochrome b562 and Growth hormone secretagogue receptor type 1, Fab7881 Heavy Chain, ...
著者Shiimura, Y, Horita, S, Asada, H, Hirata, K, Iwata, S, Kojima, M.
登録日2019-08-08
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode.
Nat Commun, 11, 2020
7W6Z
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BU of 7w6z by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P21
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ZINC ION, Zinc metalloprotease
著者Imaizumi, Y, Takanuki, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6X
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Crystal structure of E. coli RseP in complex with batimastat
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Regulator of sigma-E protease RseP, ZINC ION
著者Takanuki, K, Imaizumi, Y, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W71
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Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab
分子名称: Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
著者Hirose, T, Katagiri, S, Nogi, T.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6Y
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BU of 7w6y by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ...
著者Imaizumi, Y, Takanuki, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W70
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Crystal structure of the PDZ-C domain fragment of Kangiella koreensis RseP orthologue
分子名称: Zinc metalloprotease
著者Miyoshi, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
6NZV
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Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
7DB6
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BU of 7db6 by Molmil
human melatonin receptor MT1 - Gi1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Okamoto, H.H, Kusakizako, T, Shihioya, W, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2020-10-19
公開日2021-08-18
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the human MT 1 -G i signaling complex.
Nat.Struct.Mol.Biol., 28, 2021
5EC5
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BU of 5ec5 by Molmil
Crystal structure of lysenin pore
分子名称: Lysenin, MERCURIBENZOIC ACID, MERCURY (II) ION
著者Podobnik, M, Savory, P, Rojko, N, Kisovec, M, Bruce, M, Jayasinghe, L, Anderluh, G.
登録日2015-10-20
公開日2016-05-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly.
Nat Commun, 7, 2016
3UG2
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BU of 3ug2 by Molmil
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib
著者Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
登録日2011-11-02
公開日2012-03-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
3UG1
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Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor
著者Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
登録日2011-11-02
公開日2012-03-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
3VJN
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BU of 3vjn by Molmil
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP.
分子名称: Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S.
登録日2011-10-27
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor.
Oncogene, 32, 2013

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