3L0K
 
 | |
3L0N
 | | Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP | | 分子名称: | 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase | | 著者 | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | 登録日 | 2009-12-10 | | 公開日 | 2010-01-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
7FEH
 | | Crystal structure of human DDR1 in complex with CH5541127 | | 分子名称: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | | 著者 | Fukami, T.A, Kadono, S, Matsuura, T. | | 登録日 | 2021-07-20 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Novel potent and highly selective DDR1 inhibitors from integrated lead finding
Medicinal Chemistry Research, 32, 2023
|
|
2QCM
 | |
2QCG
 | |
2QCF
 | |
2QCE
 | | Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to sulfate, glycerol, and chloride | | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Wittmann, J, Rudolph, M. | | 登録日 | 2007-06-19 | | 公開日 | 2007-11-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
|
|
2QCH
 | |
2QCN
 | |
2QCD
 | |
2QCC
 | |
2QCL
 | |
5EZZ
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | | 分子名称: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5F03
 | | TRYPTASE B2 IN COMPLEX WITH 5-(3-Aminomethyl-phenoxymethyl)-3-[3-(2-chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid | | 分子名称: | (5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one, Tryptase beta-2 | | 著者 | Banner, D, Benz, J, Joseph, C, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5F00
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | | 分子名称: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5F02
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5EZX
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
|
|
3EX6
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct | | 分子名称: | CHLORIDE ION, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
3EX3
 | | human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct | | 分子名称: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
3EX4
 | |
3EWU
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | | 分子名称: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | 著者 | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
3EWX
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP | | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase | | 著者 | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
3EX1
 | | human orotidyl-5'-monophosphate decarboxylase soaked with 6-cyano-UMP, converted to UMP | | 分子名称: | 6-cyanouridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
3EWY
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP | | 分子名称: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
|
|
