5P99
 
 | | rat catechol O-methyltransferase in complex with N-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.20A | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-30 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5P92
 | | humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide at 1.61A | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-29 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5P9S
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5P9Z
 | | humanized rat COMT in complex with 6-(4-fluorophenyl)quinazolin-8-ol | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(4-fluorophenyl)quinazolin-8-ol, CHLORIDE ION, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-10-19 | | 公開日 | 2017-11-22 | | 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 COMT complex
To be published
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5P9E
 | | rat catechol O-methyltransferase in complex with N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.50A | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-30 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5PAC
 | | human factor VIIa in complex with 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide at 1.50A | | 分子名称: | 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5P9R
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5PAS
 | | Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide | | 分子名称: | (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5PA4
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5PAF
 | | Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide;2,2,2-trifluoroacetic acid | | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5PAX
 | | Crystal Structure of Factor VIIa in complex with 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea | | 分子名称: | 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5PB2
 | | Crystal Structure of Factor VIIa in complex with 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-3-ol | | 分子名称: | 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-16 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5P9P
 | | humanized rat COMT in complex with 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, ... | | 著者 | Ehler, A, Jakob-Roetne, R, Rudolph, M.G. | | 登録日 | 2016-10-19 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5PA7
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5PAT
 | | Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide | | 分子名称: | Coagulation factor VII heavy chain, Coagulation factor VII light chain, N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 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 Factor VIIa complex
To be published
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5P9C
 | | rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide at 1.70A | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 5-(4-fluorophenyl)-2,3-dihydroxy-N-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-30 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5P9O
 | | humanized rat COMT in complex with 7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one, CHLORIDE ION, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-10-19 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5PA5
 | | humanized rat COMT in complex with 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one, ACETATE ION, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-10-19 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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5PAG
 | | Crystal Structure of Factor VIIa in complex with (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide;hydrobromide | | 分子名称: | (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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5PAY
 | | Crystal Structure of Factor VIIa in complex with 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea | | 分子名称: | 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Crystal Structure of a Factor VIIa complex
To be published
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7FUD
 | | 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 | | 分子名称: | (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 | | 著者 | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | 登録日 | 2023-02-08 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.026 Å) | | 主引用文献 | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7FVT
 | | Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one | | 分子名称: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G. | | 登録日 | 2023-04-18 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | | 主引用文献 | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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7FTW
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7FVS
 | | Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | | 分子名称: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | | 登録日 | 2023-04-18 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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7FSE
 | | Crystal Structure of T. maritima reverse gyrase with a minimal latch | | 分子名称: | CHLORIDE ION, DODECAETHYLENE GLYCOL, Reverse gyrase, ... | | 著者 | Rasche, R, Kummel, D, Rudolph, M.G, Klostermeier, D. | | 登録日 | 2023-01-04 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Acta Crystallogr D Struct Biol, 79, 2023
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