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PDB: 62 件
8CUH
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BU of 8cuh by Molmil
Crystal structure of human TEAD2 complexed with its inhibitor TM2.
分子名称: 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide, Transcriptional enhancer factor TEF-4
著者Liu, S, Luo, X.
登録日2022-05-17
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode.
Elife, 11, 2022
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
6OCG
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BU of 6ocg by Molmil
Crystal structure of VASH1-SVBP complex bound with EpoY
分子名称: CHLORIDE ION, GLYCEROL, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine, ...
著者Li, F, Luo, X, Yu, H.
登録日2019-03-23
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
6OCF
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BU of 6ocf by Molmil
The crystal structure of VASH1-SVBP complex
分子名称: CHLORIDE ION, GLYCEROL, Small vasohibin-binding protein, ...
著者Li, F, Luo, X, Yu, H.
登録日2019-03-23
公開日2019-06-26
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
6OCH
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BU of 6och by Molmil
Crystal structure of VASH1-SVBP complex bound with parthenolide
分子名称: GLYCEROL, SULFATE ION, Small vasohibin-binding protein, ...
著者Li, F, Luo, X, Yu, H.
登録日2019-03-23
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
4TRG
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BU of 4trg by Molmil
the SNL domain of SidC
分子名称: MERCURY (II) ION, SidC
著者Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y.
登録日2014-06-16
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TRH
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BU of 4trh by Molmil
The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling
分子名称: SidC
著者Hsu, F.S, Luo, X, Qiu, J, Teng, Y, Jin, J, Smolka, M.B, Luo, Z.Q, Mao, Y.
登録日2014-06-16
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
分子名称: GLYCEROL, Transcriptional enhancer factor TEF-4
著者Tomchick, D.R, Luo, X, Tian, W.
登録日2009-12-10
公開日2010-04-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
3K3H
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BU of 3k3h by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
登録日2009-10-02
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
3K3E
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BU of 3k3e by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
登録日2009-10-02
公開日2010-02-16
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
5H14
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BU of 5h14 by Molmil
EED in complex with an allosteric PRC2 inhibitor EED666
分子名称: 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H15
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EED in complex with PRC2 allosteric inhibitor EED709
分子名称: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H13
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BU of 5h13 by Molmil
EED in complex with PRC2 allosteric inhibitor EED396
分子名称: 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H17
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BU of 5h17 by Molmil
EED in complex with PRC2 allosteric inhibitor EED210
分子名称: (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5DQ8
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BU of 5dq8 by Molmil
Crystal structure of human transcription factor TEAD2 in complex with flufenamic acid
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Transcriptional enhancer factor TEF-4
著者Han, X, Luo, X.
登録日2015-09-14
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Targeting the Central Pocket in Human Transcription Factor TEAD as a Potential Cancer Therapeutic Strategy.
Structure, 23, 2015
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
4RYL
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BU of 4ryl by Molmil
Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
分子名称: 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION
著者Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-12-15
公開日2015-02-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
分子名称: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
5FBY
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BU of 5fby by Molmil
Crystal structure of ctSPD
分子名称: cleaved peptide, separase
著者Lin, Z, Luo, X, Yu, H.
登録日2015-12-14
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structural basis of cohesin cleavage by separase.
Nature, 532, 2016
5FC2
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BU of 5fc2 by Molmil
Structure of a separase in complex with a pAMK peptide containing a phospho-serine
分子名称: pAMK, peptide containing a phospho-serine, separase
著者Lin, Z, Luo, X, Yu, H.
登録日2015-12-14
公開日2016-03-30
最終更新日2016-05-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural basis of cohesin cleavage by separase.
Nature, 532, 2016
5FC3
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BU of 5fc3 by Molmil
Structural basis of cohesin cleavage by separase
分子名称: pAMK peptide, separase
著者Lin, Z, Luo, X, Yu, H.
登録日2015-12-14
公開日2016-03-30
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of cohesin cleavage by separase
Nature, 532, 2016
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
分子名称: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
著者LIU, S, HAN, X, LUO, X.
登録日2018-02-09
公開日2020-07-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
6AO5
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BU of 6ao5 by Molmil
Crystal structure of human MST2 in complex with SAV1 SARAH domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein salvador homolog 1, ...
著者Tomchick, D.R, Luo, X, Ni, L.
登録日2017-08-15
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
5H25
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EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017

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