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5SHG
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BU of 5shg by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(cc1)nc(c3c(nc(n23)c4ccccc4Cl)C)N)OC, micromolar IC50=0.001022
Descriptor: (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine, 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:2024-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHX
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BU of 5shx by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(nc1C)cccc2)N3CCCC3, micromolar IC50=9.069546
Descriptor: 2-methyl-3-(pyrrolidin-1-yl)quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Canesso, R, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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 N(C(c1c(cncc1)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O)=O)CC(C)(O)C, micromolar IC50=0.002076
Descriptor: 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-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:2024-10-16
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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 c1c(ccc(c1)c2nc(c(C)o2)CCOc4ncc3ccccc3c4)F, micromolar IC50=0.224356
Descriptor: 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline, 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:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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 c1(nc(ccc1Nc2cncnc2)C3CC3)C(=O)Nc4ccccc4CC(=O)NC, micromolar IC50=0.053384
Descriptor: 6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-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:2024-10-16
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIF
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BU of 5sif by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)[S](=O)(=O)C, micromolar IC50=0.049318
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:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIX
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BU of 5six by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2cc(nn12)c3c(nc4c(n3)cccc4)C)N5CC[C@H](C5)F)NC6CCOCC6, micromolar IC50=0.007291
Descriptor: (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Gobbi, L, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJ2
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BU of 5sj2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Cl)c(ncc1)Cl)C(Nc3cc2nc(nn2cc3)c4ccccc4)=O, micromolar IC50=0.02036
Descriptor: 2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-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:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJJ
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BU of 5sjj by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cc(c1c2NCC)c3cccc(c3)C(F)(F)F)N, micromolar IC50=0.256
Descriptor: GLYCEROL, MAGNESIUM ION, N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ...
Authors:Joseph, C, Benz, J, Flohr, A, Cai, J, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 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 N1(CCOCC1)C(c2c(n(nc2)C)C(Nc4cc3nc(nn3cc4)N5CCCC5)=O)=O, micromolar IC50=0.0008908
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:2024-10-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKF
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BU of 5skf by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(=NN(C=CC1=O)c2cccc3c2OC(O3)(F)F)c4ccnn4c5cccc(c5)C#N, micromolar IC50=0.080428
Descriptor: 3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SSX
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BU of 5ssx by Molmil
Crystal Structure human formylglycine generating enzyme E130D mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.02 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure of human formylglycine generating enzyme in complex with N-acetyl-cysteine methylester
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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Crystal Structure of wild-type human formylglycine generating enzyme bound to Cu(I)
To be published
7FTP
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BU of 7ftp by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(4-chlorophenyl)-10,11-dimethoxy-7-methyl-2,4,6-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9(13),10-hexaene
Descriptor: 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Zhang, Z, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTQ
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BU of 7ftq by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
Descriptor: (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, PHOSPHATE ION, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Zhou, C, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTW
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BU of 7ftw by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
Descriptor: 5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTY
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BU of 7fty by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one:2,2,2-trifluoroacetic acid
Descriptor: (8R)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTZ
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BU of 7ftz by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-[3-[[(5-bromo-2-hydroxybenzoyl)amino]methyl]anilino]-1,3-thiazol-4-yl]acetic acid
Descriptor: (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUQ
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BU of 7fuq by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-phenylbenzimidazole-4-carboxylic acid
Descriptor: (5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.757 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU4
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BU of 7fu4 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-fluoro-4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Descriptor: (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUC
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BU of 7fuc by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-2-(morpholin-4-ylmethyl)-1H-benzimidazole-4-carboxylic acid
Descriptor: (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUE
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BU of 7fue by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-5-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Descriptor: (8S)-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)-5-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUJ
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BU of 7fuj by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Descriptor: (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FUD
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BU of 7fud by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-benzyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Descriptor: (8S)-5-benzyl-2-({[(5P)-2-chloro-5-(1-methyl-1H-pyrazol-3-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

226262

數據於2024-10-16公開中

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