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4Y38
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BU of 4y38 by Molmil
Endothiapepsin in complex with fragment B29
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
6G24
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BU of 6g24 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 3
分子名称: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, 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 (2.1 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2C
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BU of 6g2c by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 9
分子名称: 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, 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 (1.76 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G25
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BU of 6g25 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 4
分子名称: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, 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 (1.432 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2B
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BU of 6g2b by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 8
分子名称: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, 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 (1.61 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
4Y4G
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BU of 4y4g by Molmil
Endothiapepsin in complex with fragment B53
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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
4Y3Y
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BU of 4y3y by Molmil
Endothiapepsin in complex with fragment B42
分子名称: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.346 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
4Y3J
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BU of 4y3j by Molmil
Endothiapepsin in complex with fragment B30
分子名称: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
4Y48
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BU of 4y48 by Molmil
Endothiapepsin in complex with fragment B50
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
6G3T
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BU of 6g3t by Molmil
X-ray structure of NSD3-PWWP1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-26
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
4Y4J
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BU of 4y4j by Molmil
Endothiapepsin in complex with fragment B97
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
6G2F
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BU of 6g2f by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 16
分子名称: 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
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 (1.74 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
4Y4D
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BU of 4y4d by Molmil
Endothiapepsin in complex with fragment B51
分子名称: ACETATE ION, CAFFEINE, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-02-10
公開日2016-02-17
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (1.269 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
6G3P
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BU of 6g3p by Molmil
X-ray structure of seleno-methionine labelled NSD3-PWWP1
分子名称: Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-26
公開日2019-06-26
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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
5FLV
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BU of 5flv by Molmil
Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region
分子名称: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3', 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3', HOMEOBOX PROTEIN NKX-2.5, ...
著者Stirnimann, C.U, Glatt, S, Mueller, C.W.
登録日2015-10-28
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis.
Cell(Cambridge,Mass.), 164, 2016
5K91
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BU of 5k91 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride
分子名称: Chlorite dismutase, FLUORIDE ION, GLYCEROL, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5K90
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BU of 5k90 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate
分子名称: Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
分子名称: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
3MMV
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BU of 3mmv by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-20
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN5
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BU of 3mn5 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-21
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
5M4G
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BU of 5m4g by Molmil
Crystal Structure of Wild-Type Human Prolidase with Mn ions
分子名称: GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ...
著者Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
登録日2016-10-18
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017

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件を2024-08-21に公開中

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