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PDB: 803 results

5SIF
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BU of 5sif by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,5-difluorophenyl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
Descriptor: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ...
Authors:Joseph, C, Benz, J, Flohr, A, Rogers-Evans, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKD
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BU of 5skd by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,5-difluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
Descriptor: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, GLYCEROL, MAGNESIUM ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Rogers-Evans, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIG
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BU of 5sig by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-[(4-methoxyphenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
Descriptor: MAGNESIUM ION, N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKR
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BU of 5skr by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-N-(2-methyl-5-pyridin-2-ylpyrazol-3-yl)-4-pyridin-4-ylpyrazole-3-carboxamide
Descriptor: 1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIJ
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BU of 5sij by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
Descriptor: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJU
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BU of 5sju by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
Descriptor: 6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJZ
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BU of 5sjz by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide
Descriptor: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKE
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BU of 5ske by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-tert-butyl-5-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
Descriptor: 2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIQ
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BU of 5siq by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-ethyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline
Descriptor: 2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline, GLYCEROL, MAGNESIUM ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKQ
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BU of 5skq by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-ethyl-6-(4-fluorophenyl)sulfanyl-N-methyl-9H-purin-2-amine
Descriptor: GLYCEROL, MAGNESIUM ION, N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine, ...
Authors:Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ1
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BU of 5sj1 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 7-[(3,5-dimethyl-4-propan-2-yloxypyridin-2-yl)methylsulfinyl]-6H-imidazo[4,5-g][1,3]benzothiazole
Descriptor: 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKV
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BU of 5skv by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
Descriptor: 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ6
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BU of 5sj6 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(2-chloroquinazolin-4-yl)morpholine
Descriptor: 2-chloro-4-(morpholin-4-yl)quinazoline, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ9
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BU of 5sj9 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Descriptor: (4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJB
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BU of 5sjb by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-imidazo[4,5-f]quinoline
Descriptor: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5S9L
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BU of 5s9l by Molmil
AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1.90A, P212121, Rfree=19.1%
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
5S9M
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BU of 5s9m by Molmil
AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, 1.80A, P212121, Rfree=21.1%
Descriptor: (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
5S9N
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BU of 5s9n by Molmil
AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3%
Descriptor: CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
5SAX
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BU of 5sax by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAW
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BU of 5saw by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6%
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAY
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BU of 5say by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 2.190A, P1211, Rfree=27.7%
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
7FW6
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BU of 7fw6 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
Descriptor: (1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Ehler, A, Benz, J, Obst, U, Buettelmann, B, 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
7FWN
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BU of 7fwn by Molmil
Crystal Structure of human FABP4 in complex with 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid
Descriptor: 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, 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 a human FABP4 complex
To be published
7FVV
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BU of 7fvv by Molmil
Crystal Structure of human FABP4 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
Descriptor: (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, 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 (1.08 Å)
Cite:Crystal Structure of a human FABP4 complex
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

221051

数据于2024-06-12公开中

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