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7FW1
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BU of 7fw1 by Molmil
Crystal Structure of human FABP4 in complex with 2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, i.e. SMILES c1(c(nc(c(c1c1ccc(cc1)F)C1=NN=NN1)C1(CCCC1)COC)C1CCCC1)C with IC50=0.0153077 microM
分子名称: (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXS
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Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, i.e. SMILES c1(c(nc(c(c1)C(=O)O)C(F)(F)F)OCC(F)(F)F)Oc1ccccc1 with IC50=2.33933 microM
分子名称: 5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7FYP
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BU of 7fyp by Molmil
Crystal Structure of human FABP4 in complex with (1S,2S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylcyclopropane-1-carboxylic acid, i.e. SMILES [C@H]1([C@H](C1)C(=O)O)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C with IC50=2.6 microM
分子名称: (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Woltering, T, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW4
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BU of 7fw4 by Molmil
Crystal Structure of human FABP4 soaked with glycerol
分子名称: Fatty acid-binding protein, adipocyte, GLYCEROL, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW9
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BU of 7fw9 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM
分子名称: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
1I81
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BU of 1i81 by Molmil
CRYSTAL STRUCTURE OF A HEPTAMERIC LSM PROTEIN FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
分子名称: PUTATIVE SNRNP SM-LIKE PROTEIN
著者Collins, B.M, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C.
登録日2001-03-12
公開日2001-03-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a heptameric Sm-like protein complex from archaea: implications for the structure and evolution of snRNPs.
J.Mol.Biol., 309, 2001
7FWV
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BU of 7fwv by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-cyclopentyl-N,5-dimethyl-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine, i.e. SMILES c1(c(nc(c(c1c1ccccc1)C1=NN=NN1)N(C(C)C)C)C1CCCC1)C with IC50=0.0609504 microM
分子名称: (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
3KKV
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Structure of PKA with a protein Kinase B-selective inhibitor.
分子名称: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
著者Elkins, P.A, Concha, N.O.
登録日2009-11-06
公開日2010-12-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
3GTP
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BU of 3gtp by Molmil
Backtracked RNA polymerase II complex with 24mer RNA
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
7FZT
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BU of 7fzt by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(c(cc1)Cl)Cl with IC50=15.8182 microM
分子名称: (1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
6IU1
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BU of 6iu1 by Molmil
Peroxiredoxin from Pyrococcus horikoshii 0Cys mutant)
分子名称: Peroxiredoxin
著者Nakamura, T, Himiyama, T.
登録日2018-11-27
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Distinct molecular assembly of homologous peroxiredoxins from Pyrococcus horikoshii and Thermococcus kodakaraensis.
J.Biochem., 166, 2019
7G0C
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BU of 7g0c by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid, i.e. SMILES c1c(c(c(cc1)OCc1ccccc1Cl)OCc1c(cccc1)Cl)[C@@H](C(=O)O)OC with IC50=1.1 microM
分子名称: (2R)-{2,3-bis[(2-chlorophenyl)methoxy]phenyl}(methoxy)acetic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
2DBY
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BU of 2dby by Molmil
Crystal structure of the GTP-binding protein YchF in complexed with GDP
分子名称: FORMIC ACID, GTP-binding protein, GUANOSINE-5'-DIPHOSPHATE
著者Kukimoto-Niino, M, Murayama, K, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-16
公開日2006-06-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of the GTP-binding protein YchF in complexed with GDP
To be Published
7FXG
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BU of 7fxg by Molmil
Crystal Structure of human FABP4 in complex with 2-chloro-4,6-bis(trifluoromethylsulfanyl)phenol, i.e. SMILES C(Sc1c(c(cc(c1)SC(F)(F)F)Cl)O)(F)(F)F with IC50=0.086 microM
分子名称: 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol, CHLORIDE ION, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Steudler, Y, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
3TKQ
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BU of 3tkq by Molmil
Crystal structure of full-length human peroxiredoxin 4 with mixed conformation
分子名称: Peroxiredoxin-4
著者Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
登録日2011-08-28
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
7FY7
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BU of 7fy7 by Molmil
Crystal Structure of human FABP4 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=26.3725 microM
分子名称: 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FYD
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BU of 7fyd by Molmil
Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c1ccccc1)c(c(n2)C(C)C)C(=O)O)Cl with IC50=2.6 microM
分子名称: 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7FYQ
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BU of 7fyq by Molmil
Crystal Structure of human FABP4 in complex with 2-(3,5-ditert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid, i.e. SMILES [C@@](c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)(C(F)(F)F)(C(=O)O)O with IC50=0.202 microM
分子名称: (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Masciadri, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
1I3Q
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BU of 1i3q by Molmil
RNA POLYMERASE II CRYSTAL FORM I AT 3.1 A RESOLUTION
分子名称: DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ...
著者Cramer, P, Bushnell, D.A, Kornberg, R.D.
登録日2001-02-15
公開日2001-04-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution.
Science, 292, 2001
7FZ3
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BU of 7fz3 by Molmil
Crystal Structure of human FABP4 in complex with 4-(4-chlorophenoxy)benzenesulfinic acid:sodium hydride, i.e. SMILES c1(Oc2ccc(cc2)Cl)ccc(cc1)[S@@](=O)O with IC50=7.4 microM
分子名称: 1-[bis(oxidanyl)-$l^{3}-sulfanyl]-4-(4-chloranylphenoxy)benzene, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
3NVJ
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BU of 3nvj by Molmil
Crystal structure of the C143A/C166A mutant of Ero1p
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, Endoplasmic oxidoreductin-1, ...
著者Fass, D, Vonshak, O.
登録日2010-07-08
公開日2010-11-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Steps in reductive activation of the disulfide-generating enzyme Ero1p
Protein Sci., 19, 2010
3NVN
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BU of 3nvn by Molmil
Molecular mechanism of guidance cue recognition
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Liu, H, Juo, Z, Shim, A, Focia, P, Chen, X, Garcia, C, He, X.
登録日2010-07-08
公開日2010-09-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural Basis of Semaphorin-Plexin Recognition and Viral Mimicry from Sema7A and A39R Complexes with PlexinC1.
Cell(Cambridge,Mass.), 142, 2010
7G0F
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BU of 7g0f by Molmil
Crystal Structure of human FABP4 in complex with 6-[(3-methoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, i.e. SMILES C1(=C(NC(=O)[C@H]2[C@@H](C(=O)O)CC=CC2)SC=C1C1=CC=CS1)C(=O)OC with IC50=1.1 microM
分子名称: (1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7G15
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BU of 7g15 by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl with IC50=6.03742 microM
分子名称: (1S,2R)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
4HPT
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Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
登録日2012-10-24
公開日2013-03-20
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013

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件を2025-07-09に公開中

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