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6ILJ
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BU of 6ilj by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-18
公開日2019-05-15
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
7ASW
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BU of 7asw by Molmil
Crystal structure of chloroplastic thioredoxin z defines a novel type-specific target recognition
分子名称: Thioredoxin-related protein CITRX
著者Le Moigne, T, Gurrieri, L, Crozet, P, Marchand, C.H, Zaffagnini, M, Sparla, F, Lemaire, S.D, Henri, J.
登録日2020-10-28
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Crystal structure of chloroplastic thioredoxin z defines a type-specific target recognition.
Plant J., 107, 2021
7AVF
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BU of 7avf by Molmil
Triclinic hydrogenated hen egg-white lysozyme at 100 K (control)
分子名称: ACETATE ION, Lysozyme, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
7AVG
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BU of 7avg by Molmil
Perdeuterated hen egg-white lysozyme at 100 K
分子名称: ACETATE ION, Lysozyme, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
6V1D
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BU of 6v1d by Molmil
Crystal structure of human trefoil factor 1
分子名称: Trefoil factor 1
著者Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
登録日2019-11-20
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
8ACM
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BU of 8acm by Molmil
Crystal structure of WT p38alpha
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14
著者Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-07-05
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of WT p38alpha
Res Sq
8ACO
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BU of 8aco by Molmil
Crystal structure of WT p38alpha
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14
著者Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-07-05
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of WT p38alpha
Res Sq
4RVC
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BU of 4rvc by Molmil
Structure of ATP binding subunit of ABC transporter
分子名称: ABC transporter ATP-binding protein
著者Manjula, M, Pampa, K.J, Lokanath, N.K.
登録日2014-11-26
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of ATP-binding subunit of an ABC transporter from Geobacillus kaustophilus.
Biochem.Biophys.Res.Commun., 459, 2015
4RVK
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BU of 4rvk by Molmil
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
分子名称: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVP
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BU of 4rvp by Molmil
Crystal structure of superoxide dismutase from sedum alfredii
分子名称: ZINC ION, superoxide dismutase
著者Qiu, R, Li, C, Zhai, J, Tang, L, Zhang, H, Yuan, M, Hu, X.
登録日2014-11-27
公開日2015-12-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The positive effects of Cd and Cd-Zn relationship in the Zn-related physiological processes involved in growth in the Zn/Cd hyperaccumulator Sedum alfredii
To be Published
4S2Z
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BU of 4s2z by Molmil
ERK2 Intrinsically active mutant R65S
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-25
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
6IQ5
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BU of 6iq5 by Molmil
Crystal Structure of CYP1B1 and Inhibitor Having Azide Group
分子名称: 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE
著者Kubo, M, Yamamoto, K, Itoh, T.
登録日2018-11-06
公開日2019-01-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27, 2019
6V6A
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BU of 6v6a by Molmil
Inhibitory scaffolding of the ancient MAPK, ERK7
分子名称: 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase
著者Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L.
登録日2019-12-04
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
7AKE
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BU of 7ake by Molmil
Structure of DYRK1A in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ4
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BU of 7aj4 by Molmil
Structure of DYRK1A in complex with compound 5
分子名称: 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
著者Dratch, B.D, Davis, K.M.
登録日2023-05-02
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
7AKH
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BU of 7akh by Molmil
Structure of DYRK2 in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKB
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BU of 7akb by Molmil
Structure of DYRK1A in complex with compound 56
分子名称: 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJY
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BU of 7ajy by Molmil
Structure of DYRK1A in complex with compound 51
分子名称: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKL
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BU of 7akl by Molmil
Structure of DYRK1A in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8ACF
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BU of 8acf by Molmil
Structure of the argX-117 in complex with a complement C2 fragment at low pH
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Olesen, H.G, Andersen, G.R.
登録日2022-07-05
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-function analysis of ARGX-117, a calcium- and pH-dependent clinical phase complement C2 blocking antibody
To be published
7AJ2
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BU of 7aj2 by Molmil
Structure of DYRK1A in complex with compound 3
分子名称: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ8
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BU of 7aj8 by Molmil
Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKF
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BU of 7akf by Molmil
Structure of DYRK2 in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
4TMZ
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BU of 4tmz by Molmil
Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTPgammaS and potassium
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Kuhle, B, Ficner, R.
登録日2014-06-02
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014

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