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5SI4
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BU of 5si4 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3c4c(ccc3)cccc4)c5cc(ccc5)OC(F)(F)F, micromolar IC50=0.002773
Descriptor: 3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC 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:2024-10-16
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIK
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BU of 5sik by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1)N)OCC2CCCC2, micromolar IC50=310.141421
Descriptor: 5-(cyclopentylmethoxy)pyrimidin-2-amine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Boehringer, 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
5SJ6
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BU of 5sj6 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(nc2N3CCOCC3)Cl, micromolar IC50=1.4973168
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:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIV
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BU of 5siv by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c2cc1c(nccn1)cc2)(=O)NCc3cccs3, micromolar IC50=>10
Descriptor: MAGNESIUM ION, N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide, 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:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJC
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BU of 5sjc by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(c(nn1C)C)Cl)C(Nc3nc2nc(cn2cc3)c4ccccc4)=O, micromolar IC50=0.096957
Descriptor: 4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJH
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BU of 5sjh by Molmil
Crystal Structure of human phosphodiesterase 10
Descriptor: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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 (2.1 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJP
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BU of 5sjp by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCC1)C(=O)c2c(n(nc2)C)C(=O)Nc3cc(nc(c3)C)NC(NC(OCC)=O)=S, micromolar IC50=0.402697
Descriptor: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ...
Authors:Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SK6
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BU of 5sk6 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
Descriptor: 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Peters, J, 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
5SKM
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BU of 5skm by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@H]3(CCc2nc1ccc(Cl)cc1c(n2)N(C)C)CCN(C3)c4ccccn4, micromolar IC50=0.014172
Descriptor: 6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-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 (1.91 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHC
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BU of 5shc by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ncncc1NC(C4=CC=CN(CCc2c(oc(n2)c3ccccc3)C)C4=O)=O, micromolar IC50=1.1253625
Descriptor: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-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:2024-10-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJW
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BU of 5sjw by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(Cl)cnn4CC(C)C, micromolar IC50=0.448073
Descriptor: 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Joseph, C, Benz, J, Flohr, A, Peters, J, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 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 C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)OC(F)(F)F, micromolar IC50=0.047063
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:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKU
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BU of 5sku by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(cc(c(c1nc(c(C)o1)CCOc2ccc(c3ccccc23)C[C@@H](C(O)=O)OC)cc4)OCC)F, micromolar IC50=0.095357
Descriptor: (2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Binggeli, A, 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
5SHS
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BU of 5shs by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c34c(n(Cc1cccc2c1cccc2)nn3)ncnc4N5CCCCC5, micromolar IC50=0.183
Descriptor: 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 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:2024-10-16
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 C1(NC(=Nc2c1cccc2)CN(C(=O)Nc3ccccc3)Cc4ccc(OC)cc4)=O, micromolar IC50=0.024784
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:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIZ
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BU of 5siz by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(n[nH]1)c2cccnc2)CCNC(c3c(ncc(n3)C4CC4)OC)=O, micromolar IC50=0.249764
Descriptor: 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}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:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJI
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BU of 5sji by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(nc([nH]1)c2ccccc2)cc(NC(c3c(cnn3C)Cl)=O)cc4, micromolar IC50=0.169
Descriptor: 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM 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 (1.98 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SH1
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BU of 5sh1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc4c(c1OCCc2c(C)oc(n2)c3ccccc3)nccc4, micromolar IC50=0.416097
Descriptor: 8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Binggeli, A, 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
5SHI
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BU of 5shi by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(c2nc(c(n12)C)C)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.954878
Descriptor: (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine, 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 (2.1 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI0
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BU of 5si0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n4c(n1c(nc(n1)CCc2nn(c(n2)N3CCCC3)C)cc4C)CCc5nn(c(n5)N6CCCC6)C, micromolar IC50=0.047938
Descriptor: (4R)-7-methyl-2,5-bis{2-[1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Lerner, C, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJY
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BU of 5sjy by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(Br)c(nn1C)C)C(=O)Nc3nc2nc(cn2cc3)c4ccccc4, micromolar IC50=0.026781
Descriptor: 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Peters, J, 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
5SKG
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BU of 5skg by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)NC(=O)c4cc(nc(c4)NC5CC5)Cl, micromolar IC50=0.0061215
Descriptor: 2-chloro-6-(cyclopropylamino)-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 (2.03 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHD
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BU of 5shd by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)NC)=O, micromolar IC50=0.01369
Descriptor: 6-cyclopropyl-N-[4-(methylcarbamoyl)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 (2.6 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHU
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BU of 5shu by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc2c(c1)CCN2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.2659405
Descriptor: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole, 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:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SII
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BU of 5sii by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc(c(cc1[C@H](C(=NN=C2c3cc(c(cc3)OC)OC)C)CC)OC)OC, micromolar IC50=1.5247104
Descriptor: (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Benz, J, Flohr, A, Zeller, P, Rudolph, M.G.
Deposit date:2022-02-01
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of a human phosphodiesterase 10 complex
To be published

238582

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