6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | 登録日 | 2018-05-06 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | 分子名称: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | 登録日 | 2014-07-26 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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6G5G
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![BU of 6g5g by Molmil](/molmil-images/mine/6g5g) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | 登録日 | 2018-03-29 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5F
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![BU of 6g5f by Molmil](/molmil-images/mine/6g5f) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | 分子名称: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | 登録日 | 2018-03-29 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5K
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![BU of 6g5k by Molmil](/molmil-images/mine/6g5k) | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | 分子名称: | Botulinum neurotoxin type B, Synaptotagmin-1 | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | 登録日 | 2018-03-29 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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5XVU
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![BU of 5xvu by Molmil](/molmil-images/mine/5xvu) | Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | 著者 | El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q. | 登録日 | 2017-06-28 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018
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7C72
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![BU of 7c72 by Molmil](/molmil-images/mine/7c72) | Structure of a mycobacterium tuberculosis puromycin-hydrolyzing peptidase | 分子名称: | D-MALATE, GLYCEROL, Prolyl oligopeptidase | 著者 | Ruiz-Carrillo, D, Zhao, Y.H, Feng, Q, Zhou, X, Zhang, Y, Jiang, J, Lukman, M. | 登録日 | 2020-05-22 | 公開日 | 2021-03-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.00004458 Å) | 主引用文献 | Mycobacterium tuberculosis puromycin hydrolase displays a prolyl oligopeptidase fold and an acyl aminopeptidase activity. Proteins, 89, 2021
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7CJG
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![BU of 7cjg by Molmil](/molmil-images/mine/7cjg) | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase | 分子名称: | 5,6-DIMETHYLBENZIMIDAZOLE, GLYCEROL, Glutamine cyclotransferase-related protein, ... | 著者 | Ruiz-Carrillo, D, Lamers, S, Feng, Q, Yu, S, Sun, B, Jiang, J, Lukman, M. | 登録日 | 2020-07-10 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase. Biol.Chem., 402, 2021
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7CJE
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![BU of 7cje by Molmil](/molmil-images/mine/7cje) | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase | 分子名称: | GLYCEROL, Glutamine cyclotransferase-related protein, MAGNESIUM ION, ... | 著者 | Ruiz-Carrillo, D, Lamers, S, Feng, Q, Yu, S, Sun, B, Jiang, J, Lukman, M. | 登録日 | 2020-07-10 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.950007 Å) | 主引用文献 | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase. Biol.Chem., 402, 2021
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5FKX
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![BU of 5fkx by Molmil](/molmil-images/mine/5fkx) | Structure of E.coli inducible lysine decarboxylase at active pH | 分子名称: | LYSINE DECARBOXYLASE, INDUCIBLE | 著者 | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | 登録日 | 2015-10-20 | 公開日 | 2016-09-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | 主引用文献 | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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5FL2
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![BU of 5fl2 by Molmil](/molmil-images/mine/5fl2) | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | 分子名称: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | 著者 | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | 登録日 | 2015-10-21 | 公開日 | 2016-09-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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5FKZ
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![BU of 5fkz by Molmil](/molmil-images/mine/5fkz) | Structure of E.coli Constitutive lysine decarboxylase | 分子名称: | LYSINE DECARBOXYLASE, CONSTITUTIVE | 著者 | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | 登録日 | 2015-10-20 | 公開日 | 2016-09-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (5.5 Å) | 主引用文献 | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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1C4T
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![BU of 1c4t by Molmil](/molmil-images/mine/1c4t) | CATALYTIC DOMAIN FROM TRIMERIC DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | 分子名称: | PROTEIN (DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE), SULFATE ION | 著者 | Knapp, J.E, Carroll, D, Lawson, J.E, Ernst, S.R, Reed, L.J, Hackert, M.L. | 登録日 | 1999-09-22 | 公開日 | 2000-02-18 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Expression, purification, and structural analysis of the trimeric form of the catalytic domain of the Escherichia coli dihydrolipoamide succinyltransferase. Protein Sci., 9, 2000
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4AOW
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![BU of 4aow by Molmil](/molmil-images/mine/4aow) | Crystal structure of the human Rack1 protein at a resolution of 2.45 angstrom | 分子名称: | GLYCEROL, GUANINE NUCLEOTIDE-BINDING PROTEIN SUBUNIT BETA-2-LIKE 1 | 著者 | Ruiz Carrillo, D, Chandrasekaran, R, Nilsson, M, Cornvick, T, Liew, C.W, Tan, S.M, Lescar, J. | 登録日 | 2012-03-30 | 公開日 | 2012-08-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of Human Rack1 Protein at a Resolution of 2.45 A. Acta Crystallogr.,Sect.F, 68, 2012
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3SI0
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![BU of 3si0 by Molmil](/molmil-images/mine/3si0) | Structure of glycosylated human glutaminyl cyclase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutaminyl-peptide cyclotransferase, ... | 著者 | Parthier, C, Carrillo, D, Stubbs, M.T. | 登録日 | 2011-06-17 | 公開日 | 2011-06-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
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3SI1
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![BU of 3si1 by Molmil](/molmil-images/mine/3si1) | Structure of glycosylated murine glutaminyl cyclase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutaminyl-peptide cyclotransferase, ZINC ION | 著者 | Dambe, T, Carrillo, D, Parthier, C, Stubbs, M.T. | 登録日 | 2011-06-17 | 公開日 | 2011-06-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
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3SI2
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![BU of 3si2 by Molmil](/molmil-images/mine/3si2) | Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150) | 分子名称: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Parthier, C, Carrillo, D, Stubbs, M.T. | 登録日 | 2011-06-17 | 公開日 | 2011-06-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
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8OU1
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4CSK
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![BU of 4csk by Molmil](/molmil-images/mine/4csk) | human Aquaporin | 分子名称: | AQUAPORIN-1 | 著者 | Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J. | 登録日 | 2014-03-08 | 公開日 | 2014-12-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | 主引用文献 | Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A. Acta Crystallogr.,Sect.F, 70, 2014
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6CPW
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![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Hruza, A, Hruza, A. | 登録日 | 2018-03-14 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
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5KX9
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![BU of 5kx9 by Molmil](/molmil-images/mine/5kx9) | Selective Small Molecule Inhibition of the FMN Riboswitch | 分子名称: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | 著者 | Fischmann, T.O. | 登録日 | 2016-07-20 | 公開日 | 2016-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch. Rna Biol., 13, 2016
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5C45
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![BU of 5c45 by Molmil](/molmil-images/mine/5c45) | Selective Small Molecule Inhibition of the FMN Riboswitch | 分子名称: | (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | 著者 | Fischmann, T.O. | 登録日 | 2015-06-17 | 公開日 | 2015-10-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Selective small-molecule inhibition of an RNA structural element. Nature, 526, 2015
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3EQI
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3EQG
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3EQD
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![BU of 3eqd by Molmil](/molmil-images/mine/3eqd) | |