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PDB: 803 件
5Q1D
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BU of 5q1d by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5SGP
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BU of 5sgp by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-N-(2-methoxyethyl)-4-N,2-dimethyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide
分子名称: GLYCEROL, MAGNESIUM ION, N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (1.95 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SK5
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BU of 5sk5 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group H3
分子名称: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (1.95 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGF
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BU of 5sgf by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-methyl-5-(propylcarbamoyl)pyrazole-4-carboxylate
分子名称: GLYCEROL, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.3 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHJ
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BU of 5shj by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[3-(phenylcarbamoyl)phenyl]pyrazole-3-carboxamide
分子名称: 4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.3 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI9
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BU of 5si9 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-N-(2-hydroxyethyl)-2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide
分子名称: MAGNESIUM ION, N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.01 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIN
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BU of 5sin by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-(3-methyl-1-pyridin-2-ylthieno[2,3-c]pyrazol-5-yl)benzamide
分子名称: MAGNESIUM ION, N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.4 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SKL
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BU of 5skl by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide
分子名称: MAGNESIUM ION, N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI8
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BU of 5si8 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide
分子名称: MAGNESIUM ION, N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SHN
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BU of 5shn by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-N-(1,3-oxazol-2-ylmethyl)-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide
分子名称: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.03 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIO
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BU of 5sio by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(2-methylpyrrolidine-1-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide
分子名称: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.2 Å)
主引用文献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 4-chloro-2-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3-carboxamide
分子名称: 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (1.95 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI6
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BU of 5si6 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methylpyrazole-3-carboxamide
分子名称: 4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 Å)
主引用文献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 4-N-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
分子名称: GLYCEROL, MAGNESIUM ION, N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ...
著者Joseph, C, Benz, J, Flohr, A, Cai, J, 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 (2.1 Å)
主引用文献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
分子名称: 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SGY
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BU of 5sgy by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2-(2-methylpropyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.36 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SJT
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BU of 5sjt by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-N,4-N,2-trimethyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SK1
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BU of 5sk1 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-N,2-dimethyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide
分子名称: CHLORIDE ION, MAGNESIUM ION, N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.3 Å)
主引用文献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 4-bromo-2,5-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.2 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SI3
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BU of 5si3 by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
分子名称: 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.4 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5SIP
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BU of 5sip by Molmil
Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide
分子名称: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Peters, J, 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 (2.03 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
5Q0K
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BU of 5q0k by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0R
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BU of 5q0r by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0Z
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BU of 5q0z by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1I
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BU of 5q1i by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018

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