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6AKM
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BU of 6akm by Molmil
Crystal structure of SLMAP-SIKE1 complex
分子名称: GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1
著者Ma, J, Chen, M, Zhou, Z.C.
登録日2018-09-02
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WHG
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BU of 4whg by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 3
分子名称: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
分子名称: CALCIUM ION, QDE-2-interacting protein
著者Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
登録日2014-09-03
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WHF
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BU of 4whf by Molmil
Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one
分子名称: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
6B1B
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BU of 6b1b by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide
著者Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P.
登録日2017-09-18
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
3L8X
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BU of 3l8x by Molmil
P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor
分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Sack, J.S.
登録日2010-01-04
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
分子名称: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE8
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BU of 7re8 by Molmil
Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE7
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BU of 7re7 by Molmil
TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ...
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
6A7B
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BU of 6a7b by Molmil
AKR1C3 complexed with new inhibitor with novel scaffold
分子名称: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ...
著者Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
登録日2012-08-23
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
6LLN
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BU of 6lln by Molmil
citronellol catabolism dehydrogenase (AtuB) [Pseudomonas aeruginosa PAO1]
分子名称: Putative dehydrogenase involved in catabolism of citronellol
著者Zhang, Q, Bartlam, M.
登録日2019-12-23
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of the Pseudomonas aeruginosa dehydrogenase AtuB involved in citronellol and geraniol catabolism.
Biochem.Biophys.Res.Commun., 523, 2020
1N9A
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BU of 1n9a by Molmil
Farnesyltransferase complex with tetrahydropyridine inhibitors
分子名称: 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg.Med.Chem.Lett., 13, 2003
1N95
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BU of 1n95 by Molmil
Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives
分子名称: 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
1N94
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BU of 1n94 by Molmil
Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates
分子名称: 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
5BU3
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BU of 5bu3 by Molmil
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
分子名称: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
4RC8
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BU of 4rc8 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid
分子名称: Aldehyde decarbonylase, FE (III) ION, STEARIC ACID
著者Jia, C.J, Li, M, Chang, W.R.
登録日2014-09-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4QUW
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BU of 4quw by Molmil
Crystal structure of the apo form of cyanobacterial aldehyde-deformylating oxygenase
分子名称: Aldehyde decarbonylase, HEXADECAN-1-OL
著者Jia, C.J, Li, M, Chang, W.R.
登録日2014-07-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RC7
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BU of 4rc7 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase F86YF87Y mutant
分子名称: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL
著者Jia, C.J, Li, M, Chang, W.R.
登録日2014-09-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RI2
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BU of 4ri2 by Molmil
Crystal structure of the photoprotective protein PsbS from spinach
分子名称: CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
著者Fan, M, Li, M, Chang, W.
登録日2014-10-05
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
4RI3
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BU of 4ri3 by Molmil
Crystal structure of DCCD-modified PsbS from spinach
分子名称: DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
著者Fan, M, Li, M, Chang, W.
登録日2014-10-05
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
5BTU
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BU of 5btu by Molmil
The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016

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