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8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
著者Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
登録日2023-10-16
公開日2024-02-28
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
5OLT
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BU of 5olt by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
分子名称: CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION
著者Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G.
登録日2017-07-28
公開日2018-08-08
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
7DLV
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BU of 7dlv by Molmil
shrimp dUTPase in complex with Stl
分子名称: CALCIUM ION, Orf20, SULFATE ION, ...
著者Ma, Q, Wang, F.
登録日2020-11-30
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase.
Int.J.Biol.Macromol., 184, 2021
8PUY
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BU of 8puy by Molmil
TEAD2 with a covalent inhibitor
分子名称: MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-07-17
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
8PUX
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BU of 8pux by Molmil
TEAD2 with a covalent inhibitor
分子名称: MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-07-17
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
8P29
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BU of 8p29 by Molmil
TEAD2 in complex with an inhibitor
分子名称: 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ...
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-05-15
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
5OJH
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BU of 5ojh by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
分子名称: CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION
著者Schneider, G, Vella, P, Lindqvist, Y, Schnell, R.
登録日2017-07-21
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
3V53
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BU of 3v53 by Molmil
Crystal structure of human RBM25
分子名称: RNA-binding protein 25
著者Gong, D.S.
登録日2011-12-16
公開日2012-12-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure and functional characterization of the human RBM25 PWI domain and its flanking basic region
Biochem.J., 450, 2013
4M6T
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BU of 4m6t by Molmil
Structure of human Paf1 and Leo1 complex
分子名称: RNA polymerase II-associated factor 1 homolog, Linker, RNA polymerase-associated protein LEO1, ...
著者Shen, Y, Qin, X.
登録日2013-08-11
公開日2013-10-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structural insights into Paf1 complex assembly and histone binding
Nucleic Acids Res., 41, 2013
2MOX
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BU of 2mox by Molmil
solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
分子名称: Sorbin and SH3 domain-containing protein 1
著者Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2014-05-07
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
分子名称: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
4RNC
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BU of 4rnc by Molmil
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
分子名称: Esterase, PHOSPHATE ION
著者Dou, S, Kong, X.D, Xu, J.H, Zhou, J.
登録日2014-10-23
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate channel evolution of an esterase for the synthesis of Cilastatin
CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
4TUG
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BU of 4tug by Molmil
Crystal structure of MjMre11-DNA2 complex
分子名称: DNA (5'-D(P*CP*TP*GP*TP*CP*CP*TP*AP*CP*GP*TP*GP*CP*CP*A)-3'), DNA (5'-D(P*GP*CP*AP*CP*GP*TP*AP*GP*GP*AP*CP*AP*GP*C)-3'), DNA double-strand break repair protein Mre11, ...
著者Sung, S, Cho, Y.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献DNA end recognition by the Mre11 nuclease dimer: insights into resection and repair of damaged DNA.
Embo J., 33, 2014
4TUI
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BU of 4tui by Molmil
Crystal structure of MjMre11-DNA1 complex
分子名称: DNA (5'-D(P*TP*CP*CP*TP*AP*CP*GP*TP*GP*CP*CP*AP*G)-3'), DNA (5'-D(P*TP*GP*GP*CP*AP*CP*GP*TP*AP*GP*GP*AP*C)-3'), DNA double-strand break repair protein Mre11
著者Sung, S, Cho, Y.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献DNA end recognition by the Mre11 nuclease dimer: insights into resection and repair of damaged DNA.
Embo J., 33, 2014
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-20
公開日2007-09-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
3D9H
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BU of 3d9h by Molmil
Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein
分子名称: cDNA FLJ77766, highly similar to Homo sapiens ankyrin repeat and SOCS box-containing 9 (ASB9), transcript variant 2, ...
著者Fei, X, Gu, X, Fan, S, Zhang, C, Ji, C.
登録日2008-05-27
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein
To be published
6G2O
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BU of 6g2o by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound BI-9321
分子名称: Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-23
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6G27
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BU of 6g27 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 5
分子名称: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G29
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BU of 6g29 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 6
分子名称: 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2E
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BU of 6g2e by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 13
分子名称: Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-23
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
分子名称: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012

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