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8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
8JI4
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BU of 8ji4 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI5
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BU of 8ji5 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+
分子名称: 5-bromo-L-tryptophan, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI3
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BU of 8ji3 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI6
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BU of 8ji6 by Molmil
Crystal structure of AetD in complex with L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI2
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BU of 8ji2 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JZ3
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BU of 8jz3 by Molmil
Crystal structure of AetF in complex with FAD and L-tryptophan
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ5
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BU of 8jz5 by Molmil
Crystal structure of AetF in complex with FAD and NADP+ at 1.86 angstrom
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ2
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BU of 8jz2 by Molmil
Crystal structure of AetF in complex with FAD
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ4
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BU of 8jz4 by Molmil
Crystal structure of AetF in complex with FAD and 5-bromo-L-tryptophan
分子名称: 5-bromo-L-tryptophan, AetF, FLAVIN-ADENINE DINUCLEOTIDE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
6WGN
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BU of 6wgn by Molmil
Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2
分子名称: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ...
著者Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H.
登録日2020-04-06
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf.
Acs Cent.Sci., 6, 2020
8JI7
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BU of 8ji7 by Molmil
Crystal structure of AetD in complex with L-tryptophan and two Fe2+
分子名称: AetD, FE (II) ION, NICKEL (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
分子名称: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
著者Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
登録日2010-01-12
公開日2010-08-04
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LDB
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BU of 3ldb by Molmil
Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment.
分子名称: 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ...
著者Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
登録日2010-01-12
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
8DOT
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BU of 8dot by Molmil
Structure of a methane clathrate binding protein
分子名称: TETRAETHYLENE GLYCOL, methane clathrate binding protein
著者Huard, D.J.E, Lieberman, R.L, Glass, J.B.
登録日2022-07-14
公開日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular basis for inhibition of methane clathrate growth by a deep subsurface bacterial protein.
Pnas Nexus, 2, 2023
4P57
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BU of 4p57 by Molmil
MHC TCR peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-14
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P4R
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BU of 4p4r by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-13
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P4K
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BU of 4p4k by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between allergic hypersensitivity and auto immunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM, HLA class II histocompatibility antigen, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-12
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4KEG
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BU of 4keg by Molmil
Crystal Structure of MBP Fused Human SPLUNC1
分子名称: MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside
著者Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
登録日2013-04-25
公開日2014-04-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Lipid Ligands of the SPLUNC1 Protein
To be Published
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
分子名称: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
登録日2021-06-16
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
8HBM
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BU of 8hbm by Molmil
Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
分子名称: Bile acid receptor, DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3'), ...
著者Jiang, L, Chen, Y.
登録日2022-10-29
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Comput Struct Biotechnol J, 21, 2023
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023

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