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5P9S
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BU of 5p9s by Molmil
humanized rat COMT in complex with 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one
Descriptor: 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Jakob-Roetne, R, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA5
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BU of 5pa5 by Molmil
humanized rat COMT in complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one, ACETATE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9Z
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BU of 5p9z by Molmil
humanized rat COMT in complex with 6-(4-fluorophenyl)quinazolin-8-ol
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(4-fluorophenyl)quinazolin-8-ol, CHLORIDE ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a COMT complex
To be published
5P9P
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BU of 5p9p by Molmil
humanized rat COMT in complex with 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, ...
Authors:Ehler, A, Jakob-Roetne, R, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
5PA7
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BU of 5pa7 by Molmil
humanized rat COMT in complex with 6-bromo-3-chloroquinolin-8-ol
Descriptor: 6-bromanyl-3-chloranyl-quinolin-8-ol, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-10-19
Release date:2017-11-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of a COMT complex
To be published
7FXC
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BU of 7fxc by Molmil
Crystal Structure of human FABP4 in complex with 6-[(3,4-dichlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one
Descriptor: (5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Albrecht-Harry, A, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FZS
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BU of 7fzs by Molmil
Crystal Structure of human FABP4 in complex with 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid
Descriptor: 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Conte, A, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FWQ
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BU of 7fwq by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
Descriptor: 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Conte, A, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
To be published
7G1F
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BU of 7g1f by Molmil
Crystal Structure of human FABP4 in complex with 1-(4-methylphenyl)sulfonyl-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
Descriptor: 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Stempel, A, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FZP
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BU of 7fzp by Molmil
Crystal Structure of human FABP4 in complex with 6-[(4-chlorophenyl)methylsulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Descriptor: 6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Wichmann, J, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7G0X
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BU of 7g0x by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with isoquinolin-3-amine
Descriptor: Fatty acid-binding protein, adipocyte, MYRISTIC ACID, ...
Authors:Ehler, A, Benz, J, Obst, U, Hobbs, C, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7FYA
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BU of 7fya by Molmil
Crystal Structure of apo human FABP1 - orthorhombic form
Descriptor: Fatty acid-binding protein, liver
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of human FABP1
To be published
7G0Y
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BU of 7g0y by Molmil
Crystal Structure of human FABP4 in complex with 2-(2-methoxyanilino)benzoic acid
Descriptor: 2-(2-methoxyanilino)benzoic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Ehler, A, Benz, J, Obst, U, Gurien, H, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7G1X
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BU of 7g1x by Molmil
Crystal Structure of apo human FABP1 - monoclinic form I
Descriptor: Fatty acid-binding protein, liver
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of human FABP1
To be published
7FWU
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BU of 7fwu by Molmil
Crystal Structure of human FABP4 in complex with 2-(fluoren-9-ylidenemethyl)-4-hydroxy-2,3-dihydropyran-6-one
Descriptor: (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Wu, H, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FXI
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BU of 7fxi by Molmil
Crystal Structure of human FABP4 in complex with rac-(1R,3S)-2,2-dimethyl-3-[(2-phenylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
Descriptor: (1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7G03
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BU of 7g03 by Molmil
Crystal Structure of human FABP4 in complex with 6-fluoro-1,3-benzothiazol-2-amine
Descriptor: 6-fluoro-1,3-benzothiazol-2-amine, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Winternitz, P, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FXV
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BU of 7fxv by Molmil
Crystal Structure of human FABP4 in complex with 6-[(4-methoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dithione
Descriptor: 1,2-ETHANEDIOL, 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione, DIMETHYL SULFOXIDE, ...
Authors:Ehler, A, Benz, J, Obst, U, Koch, W, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FX2
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BU of 7fx2 by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
Descriptor: 2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7G0Q
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BU of 7g0q by Molmil
Crystal Structure of human FABP4 in complex with 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Descriptor: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Gehrig, E, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FY3
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BU of 7fy3 by Molmil
Crystal Structure of human FABP4 in complex with sulfate
Descriptor: DIMETHYL SULFOXIDE, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Structure of human FABP4 in complex with sulfate
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
Descriptor: 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ...
Authors:Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal Structure of a human FABP5 complex
To be published
7FZ1
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BU of 7fz1 by Molmil
Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid
Descriptor: 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Mischke, S, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FWA
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BU of 7fwa by Molmil
Crystal Structure of human FABP4 in complex with 5-[(4-chloroanilino)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Descriptor: (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, FORMIC ACID, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
7FZD
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BU of 7fzd by Molmil
Crystal Structure of human FABP4 in complex with 3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Descriptor: (1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid, (3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid, FORMIC ACID, ...
Authors:Ehler, A, Benz, J, Obst, U, Canesso, R, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published

225158

数据于2024-09-18公开中

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