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8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUW
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BU of 8uuw by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8W02
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BU of 8w02 by Molmil
Q108K:K40L:T51V:T53S:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
分子名称: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.H, Borhan, B.
登録日2024-02-13
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Regulation of Emission via a Protein-Bound Fluorophore
To Be Published
8VYC
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BU of 8vyc by Molmil
Graspetide pre-fuscimiditide A1C/T3C variant
分子名称: ATP-grasp target RiPP
著者Link, A.J, Choi, B.
登録日2024-02-08
公開日2024-05-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Cyclic Peptides from Graspetide Biosynthesis and Native Chemical Ligation.
J.Am.Chem.Soc., 146, 2024
4UWG
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BU of 4uwg by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
8WY0
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BU of 8wy0 by Molmil
T cell receptor delta 2 gamma 9 with F283A, F290A, and F291A
分子名称: CHOLESTEROL, Signal peptide,flag tag,T cell receptor delta variable 2,T cell receptor delta constant, Signal peptide,flag tag,T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-30
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 2024
8WXE
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BU of 8wxe by Molmil
Vgamma5Vdelta1 EH TCR-CD3 complex
分子名称: CHOLESTEROL, Signal peptide,flag tag,T cell receptor delta variable 1,T cell receptor delta constant, Signal peptide,flag tag,T cell receptor gamma variable 5,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-28
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 2024
8WYI
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BU of 8wyi by Molmil
T cell receptor delta 2 gamma 9 with TCRD TM domain chimera of TRAC
分子名称: Signal peptide,flag tag,T cell receptor delta variable 2,T cell receptor delta constant,T cell receptor alpha chain constant,T cell receptor delta variable 2,T cell receptor delta constant,T cell receptor alpha chain constant, Signal peptide,flag tag,T cell receptor gamma variable 9,T cell receptor gamma constant 1,T cell receptor gamma variable 9,T cell receptor gamma constant 1, T-cell surface glycoprotein CD3 delta chain, ...
著者Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-31
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 2024
9ILB
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BU of 9ilb by Molmil
HUMAN INTERLEUKIN-1 BETA
分子名称: PROTEIN (HUMAN INTERLEUKIN-1 BETA)
著者Yu, B, Blaber, M, Gronenborn, A.M, Clore, G.M, Caspar, D.L.D.
登録日1998-10-22
公開日1999-01-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Disordered water within a hydrophobic protein cavity visualized by x-ray crystallography.
Proc.Natl.Acad.Sci.USA, 96, 1999
966C
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BU of 966c by Molmil
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
分子名称: CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ...
著者Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
登録日1998-08-07
公開日1999-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
8X72
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BU of 8x72 by Molmil
The Crystal Structure of PLK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B.
登録日2023-11-22
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of PLK1 from Biortus.
To Be Published
8XB9
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BU of 8xb9 by Molmil
The Crystal Structure of polo-box domain of PLK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1
著者Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B.
登録日2023-12-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of polo-box domain of PLK1 from Biortus
To Be Published
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
登録日2023-12-29
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of GSK3b from Biortus.
To Be Published
8XU5
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BU of 8xu5 by Molmil
The Crystal Structure of RORgT from Biortus.
分子名称: Nuclear receptor ROR-gamma
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
登録日2024-01-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The Crystal Structure of RORgT from Biortus.
To Be Published
8YHH
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BU of 8yhh by Molmil
The Crystal Structure of Mitotic Kinesin Eg5 from Biortus
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, F, Cheng, W, Lv, Z, Qi, J, Wu, B.
登録日2024-02-28
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of Mitotic Kinesin Eg5 from Biortus
To Be Published
8YGX
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BU of 8ygx by Molmil
Structure of the PYK2 from Biortus.
分子名称: Protein-tyrosine kinase 2-beta
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-02-27
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the PYK2 from Biortus.
To Be Published
8YHK
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BU of 8yhk by Molmil
The Crystal Structure of P21-Activated Kinases Pak4 from Biortus
分子名称: Serine/threonine-protein kinase PAK 4, TRIETHYLENE GLYCOL
著者Wang, F, Cheng, W, Lv, Z, Qi, J, Wu, B.
登録日2024-02-28
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Crystal Structure of P21-Activated Kinases Pak4 from Biortus
To Be Published
8YHV
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BU of 8yhv by Molmil
Structure of the VP40 from Biortus.
分子名称: Matrix protein VP40
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-02-28
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the VP40 from Biortus.
To Be Published
9AXX
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BU of 9axx by Molmil
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXY
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BU of 9axy by Molmil
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
8XOV
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BU of 8xov by Molmil
The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
分子名称: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-01-02
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
To Be Published
8XPG
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BU of 8xpg by Molmil
The Crystal Structure of polo box domain of Plk4 from Biortus.
分子名称: SULFATE ION, Serine/threonine-protein kinase PLK4
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-01-03
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Crystal Structure of polo box domain of Plk4 from Biortus.
To Be Published
8YTI
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BU of 8yti by Molmil
Crystal Structure of Nucleosome-H1x Linker Histone Assembly (sticky-169a DNA fragment)
分子名称: CALCIUM ION, CHLORIDE ION, DNA (169-MER), ...
著者Adhireksan, Z, Qiuye, B, Padavattan, S, Davey, C.A.
登録日2024-03-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Linker Histones Associate Heterogeneously with Nucleosomes in the Condensed State
To Be Published
8XEY
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BU of 8xey by Molmil
The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2023-12-13
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
To Be Published
9AXC
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BU of 9axc by Molmil
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
著者Quade, B, Cohen, S.E, Huang, X.
登録日2024-03-06
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024

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件を2024-05-15に公開中

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