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PDB: 333 件
7G1D
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BU of 7g1d by Molmil
Crystal Structure of human FABP4 in complex with 5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one
分子名称: (6M)-5-ethyl-6-(3-methoxyphenyl)-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Wichmann, J, 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 (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7G1S
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BU of 7g1s by Molmil
Crystal Structure of human FABP4 in complex with 3-(3,4-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
分子名称: (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Zeller, P, 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 (1.08 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FQK
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BU of 7fqk by Molmil
Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-1-(1,3-oxazol-2-yl)-5-oxopent-1-yn-3-yl]-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ehler, A, Benz, J, Bartels, B, Rudolph, M.G.
登録日2022-10-05
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of a human Legumain complex
To be published
7G1I
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BU of 7g1i by Molmil
Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
分子名称: 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Waldmeier, P, 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 (1.53 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FQI
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BU of 7fqi by Molmil
Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ...
著者Ehler, A, Benz, J, Bartels, B, Rudolph, M.G.
登録日2022-10-05
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a human Legumain 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
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2024-04-03
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
7G0B
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BU of 7g0b by Molmil
Crystal Structure of human FABP5 in complex with 7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
分子名称: (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-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2024-04-03
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7G01
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BU of 7g01 by Molmil
Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
分子名称: 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
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2024-04-03
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7G0E
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BU of 7g0e by Molmil
Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid
分子名称: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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2024-04-03
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7G1Q
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BU of 7g1q by Molmil
Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
分子名称: (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ...
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 (1.24 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7FZQ
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BU of 7fzq by Molmil
Crystal Structure of human FABP3 in complex with myristate
分子名称: Fatty acid-binding protein, heart, MYRISTIC ACID, ...
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 (1.597 Å)
主引用文献Crystal Structure of human FABP3 in complex with myristate
To be published
7FXD
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BU of 7fxd by Molmil
Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid
分子名称: 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein 5
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2024-04-03
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7FY0
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BU of 7fy0 by Molmil
Crystal Structure of human FABP5 in complex with (2R)-1-[(3,5-dichloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
分子名称: 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ...
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2024-04-03
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published
7FWT
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BU of 7fwt by Molmil
Crystal Structure of apo mouse FABP4
分子名称: Fatty acid-binding protein, adipocyte
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 (1.54 Å)
主引用文献Crystal Structure of apo mouse FABP4
To be published
7FY3
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BU of 7fy3 by Molmil
Crystal Structure of human FABP4 in complex with sulfate
分子名称: DIMETHYL SULFOXIDE, Fatty acid-binding protein, adipocyte, ...
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 (1.12 Å)
主引用文献Crystal Structure of human FABP4 in complex with sulfate
To be published
7FZG
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BU of 7fzg by Molmil
Crystal Structure of apo mouse FABP4, C-centered orthorhombic form
分子名称: CITRATE ANION, Fatty acid-binding protein, adipocyte
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 (1.49 Å)
主引用文献Crystal Structure of apo mouse FABP4
To be published
7G1X
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BU of 7g1x by Molmil
Crystal Structure of apo human FABP1 - monoclinic form I
分子名称: Fatty acid-binding protein, liver
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 (1.65 Å)
主引用文献Crystal Structure of human FABP1
To be published
7FZE
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BU of 7fze by Molmil
ammonium sulfate-based apo human FABP4, primitive orthorhombic form I
分子名称: Fatty acid-binding protein, adipocyte, SULFATE ION
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 (1.17 Å)
主引用文献Crystal Structure of human apo FABP4
To be published
7FX3
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BU of 7fx3 by Molmil
Crystal Structure of apo human FABP4, tetragonal form
分子名称: 1,2-ETHANEDIOL, Fatty acid-binding protein, adipocyte
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 (1.12 Å)
主引用文献Crystal Structure of apo human FABP4
To be published
7FYA
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BU of 7fya by Molmil
Crystal Structure of apo human FABP1 - orthorhombic form
分子名称: Fatty acid-binding protein, liver
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 (1.88 Å)
主引用文献Crystal Structure of human FABP1
To be published
7G0N
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BU of 7g0n by Molmil
Crystal Structure of delipidated apo human FABP4
分子名称: 1,2-ETHANEDIOL, Fatty acid-binding protein, adipocyte, ...
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 (1.12 Å)
主引用文献Crystal Structure of delipidated apo human FABP4
To be published
6GHG
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BU of 6ghg by Molmil
Variable heavy - variable light domain and Fab-arm CrossMabs with charged residue exchanges
分子名称: Fab heavy chain, Fab light chain, HEXAETHYLENE GLYCOL, ...
著者Regula, J, Imhof-Jung, S, Molhoj, M, Benz, J, Ehler, A, Bujotzek, A, Schaefer, W, Klein, C.
登録日2018-05-07
公開日2018-09-12
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Variable heavy-variable light domain and Fab-arm CrossMabs with charged residue exchanges to enforce correct light chain assembly.
Protein Eng. Des. Sel., 31, 2018
6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
分子名称: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
登録日2019-10-03
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
8A27
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BU of 8a27 by Molmil
EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide
分子名称: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ...
著者Kuglstatter, A, Ehler, A.
登録日2022-06-02
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
8A2B
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BU of 8a2b by Molmil
EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide
分子名称: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor
著者Kuglstatter, A, Ehler, A.
登録日2022-06-03
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022

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件を2024-05-29に公開中

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