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5SJ4
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BU of 5sj4 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
分子名称: 1-methyl-6-{2-[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-1,2,3,5-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJL
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BU of 5sjl by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
分子名称: 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SK2
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BU of 5sk2 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-(4-fluorophenyl)-4-(2-isoquinolin-3-yloxyethyl)-5-methyl-1,3-oxazole
分子名称: 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKJ
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BU of 5skj by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
分子名称: 6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SSZ
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BU of 5ssz by Molmil
Crystal Structure of wild-type human formylglycine generating enzyme bound to Cu(I)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of wild-type human formylglycine generating enzyme bound to Cu(I)
To be published
5SSX
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BU of 5ssx by Molmil
Crystal Structure human formylglycine generating enzyme E130D mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme E130D mutant
To be published
5SSY
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BU of 5ssy by Molmil
Crystal Structure of human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme in complex with N-acetyl-cysteine methylester
To be published
5SGI
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BU of 5sgi by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-9H-purine
分子名称: 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Brunner, M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SFE
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BU of 5sfe by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 3-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,2-trimethylpyrazole-3,4-dicarboxamide
分子名称: MAGNESIUM ION, N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide, ZINC ION, ...
著者Joseph, C, Gobbi, L, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2022-01-21
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHR
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BU of 5shr by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-N,2-dimethyl-5-phenyl-1,2,4-triazol-3-amine
分子名称: MAGNESIUM ION, N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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%
分子名称: (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, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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%
分子名称: (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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%
分子名称: CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a rat Autotaxin complex
To be published
5SAV
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BU of 5sav by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A, P212121, Rfree=23.5%
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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%
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of a DDR1 complex
To be published
5SB2
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BU of 5sb2 by Molmil
DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2%
分子名称: 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a DDR1 complex
To be published
5SB1
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BU of 5sb1 by Molmil
DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4%
分子名称: 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
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 DDR1 complex
To be published
5SAU
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BU of 5sau by Molmil
DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1%
分子名称: 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, Epithelial discoidin domain-containing receptor 1, MALONATE ION
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a DDR1 complex
To be published
5SAZ
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BU of 5saz by Molmil
DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2%
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ...
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a DDR1 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
分子名称: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献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%
分子名称: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal Structure of a DDR1 complex
To be published
5SB0
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BU of 5sb0 by Molmil
DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6%
分子名称: CHLORIDE ION, Epithelial discoidin domain-containing receptor 1, IODIDE ION, ...
著者Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of a DDR1 complex
To be published
4KBG
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BU of 4kbg by Molmil
almost closed conformation of the helicase core of the RNA helicase Hera
分子名称: Heat resistant RNA dependent ATPase, SULFATE ION
著者Rudolph, M.G, Klostermeier, D.
登録日2013-04-23
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
4KBF
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BU of 4kbf by Molmil
two different open conformations of the helicase core of the RNA helicase Hera
分子名称: ADENOSINE MONOPHOSPHATE, Heat resistant RNA dependent ATPase, SODIUM ION, ...
著者Rudolph, M.G, Klostermeier, D.
登録日2013-04-23
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
4EYW
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BU of 4eyw by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-2-phenoxy-ethanone
分子名称: 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Rufer, A, Joseph, C.
登録日2012-05-02
公開日2013-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013

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件を2024-07-17に公開中

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