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9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
7BT5
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BU of 7bt5 by Molmil
Crystal structure of plasmodium LysRS complexing with an antitumor compound
分子名称: LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
著者Zhou, J, Wang, J, Fang, P.
登録日2020-03-31
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
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
最終更新日2024-11-06
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
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, 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 (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
7V63
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BU of 7v63 by Molmil
Structure of dimeric uPAR at low pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
著者Yuan, C, Huang, M.
登録日2021-08-19
公開日2021-12-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
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
4XFO
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BU of 4xfo by Molmil
Structure of an amyloid-forming segment TAVVTN from human Transthyretin
分子名称: Amyloid-forming peptide TAVVTN
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4XFN
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BU of 4xfn by Molmil
Structure of an Amyloid forming peptide AEVVFT from Human Transthyretin
分子名称: Amyloid forming peptide AEVVFT
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
3OJI
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BU of 3oji by Molmil
X-ray crystal structure of the Py13 -pyrabactin complex
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION
著者Zhang, X, Zhang, Q, Wang, G, Chen, Z.
登録日2010-08-23
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3OQU
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BU of 3oqu by Molmil
Crystal structure of native abscisic acid receptor PYL9 with ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9
著者Zhang, X, Zhang, Q, Chen, Z.
登録日2010-09-04
公開日2011-09-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2023-09-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.43 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4JDA
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BU of 4jda by Molmil
Complex structure of abscisic acid receptor PYL3 with (-)-ABA
分子名称: (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
著者Zhang, X, Wang, G, Chen, Z.
登録日2013-02-24
公開日2013-07-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
4JDL
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BU of 4jdl by Molmil
Crystal structure of native abscisic acid receptor PYL5 at 2.65 Angstrom
分子名称: Abscisic acid receptor PYL5, GLYCEROL
著者Zhang, X, Zhang, Q, Chen, Z.
登録日2013-02-25
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
6C3F
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BU of 6c3f by Molmil
AMYLOID FORMING PEPTIDE IYKVEI FROM TRANSTHYRETIN
分子名称: ILE-TYR-LYS-VAL-GLU-ILE, trifluoroacetic acid
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-09
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
6C88
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BU of 6c88 by Molmil
STRUCTURE OF THE AMYLOID FORMING PEPTIDE VAVHVF FROM TRANSTHYRETIN
分子名称: GLYCEROL, VAL-ALA-VAL-HIS-VAL-PHE
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-24
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
5H7V
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BU of 5h7v by Molmil
Structure of full-length extracellular domain of HAI-1 at pH 4.6
分子名称: Kunitz-type protease inhibitor 1
著者Liu, M, Huang, M.
登録日2016-11-21
公開日2017-03-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
6C3G
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BU of 6c3g by Molmil
AMYLOID FORMING PEPTIDE KALGIS FROM TRANSTHYRETIN
分子名称: GLYCEROL, LYS-ALA-LEU-GLY-ILE-SER, SULFATE ION
著者Saelices, L, Sawaya, M.R, Eisenberg, D.S.
登録日2018-01-09
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-28
公開日2012-10-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
分子名称: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
著者Wang, J, Gong, W, Li, J, Gao, F, Li, H.
登録日2013-12-08
公開日2014-09-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXE
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BU of 4nxe by Molmil
Crystal structure of iLOV-I486(2LT) at pH 6.5
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Wang, J, Liu, X, Li, J.
登録日2013-12-09
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXF
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BU of 4nxf by Molmil
Crystal structure of iLOV-I486(2LT) at pH 8.0
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Wang, J, Liu, X, Li, J.
登録日2013-12-09
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXG
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Crystal structure of iLOV-I486z(2LT) at pH 9.0
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Wang, J, Liu, X, Li, J.
登録日2013-12-09
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014

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件を2024-11-06に公開中

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