2R9S
 
 | | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ... | | 著者 | Habel, J. | | 登録日 | 2007-09-13 | | 公開日 | 2007-10-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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6MOM
 | | Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591) | | 分子名称: | 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4 | | 著者 | Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C. | | 登録日 | 2018-10-04 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
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3IFT
 | | Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis, using X-rays from the Compact Light Source. | | 分子名称: | Glycine cleavage system H protein | | 著者 | Edwards, T.E, Abendroth, J, Staker, B, Mayer, C, Phan, I, Kelley, A, Analau, E, Leibly, D, Rifkin, J, Loewen, R, Ruth, R.D, Stewart, L.J, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | 登録日 | 2009-07-25 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
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3LRF
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5GTE
 | | Crystal structure of onion lachrymatory factor synthase (LFS), solute-free form | | 分子名称: | Lachrymatory-factor synthase, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 著者 | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | 登録日 | 2016-08-20 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
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5GTF
 | | Crystal structure of onion lachrymatory factor synthase (LFS) containing glycerol | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lachrymatory-factor synthase, ... | | 著者 | Takabe, J, Arakawa, T, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | 登録日 | 2016-08-20 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
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1MC8
 | | Crystal Structure of Flap Endonuclease-1 R42E mutant from Pyrococcus horikoshii | | 分子名称: | Flap Endonuclease-1 | | 著者 | Matsui, E, Musti, K.V, Abe, J, Yamazaki, K, Matsui, I, Harata, K. | | 登録日 | 2002-08-06 | | 公開日 | 2002-10-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Molecular Structure and Novel DNA Binding Sites Located in Loops of Flap Endonuclease-1 from Pyrococcus horikoshii
J.BIOL.CHEM., 277, 2002
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5YZ8
 | | Crystal Structure of N-terminal C1 domain of KaiC | | 分子名称: | CHLORIDE ION, Circadian Clock Protein Kinase KaiC, MAGNESIUM ION, ... | | 著者 | Mukaiyama, A, Furuike, Y, Abe, J, Akiyama, S. | | 登録日 | 2017-12-13 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Conformational rearrangements of the C1 ring in KaiC measure the timing of assembly with KaiB.
Sci Rep, 8, 2018
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8CGO
 | | Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | | 登録日 | 2023-02-06 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation.
Eur.J.Med.Chem., 252, 2023
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4E27
 | | Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing | | 分子名称: | Capsid Protein, IODIDE ION, SODIUM ION | | 著者 | Craig, T.K, Abendroth, J, Lorimer, D, Burgin Jr, A.B, Segall, A, Rohwer, F. | | 登録日 | 2012-03-07 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing
To be Published
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4DR8
 | | Crystal structure of a peptide deformylase from Synechococcus elongatus | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwer, F. | | 登録日 | 2012-02-17 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
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7RBX
 | | Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, Isocitrase, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease, Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2021-07-06 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Plos Pathog., 17, 2021
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4ANE
 | | R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS | | 分子名称: | CITRIC ACID, NUCLEOSIDE DIPHOSPHATE KINASE | | 著者 | Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A. | | 登録日 | 2012-03-16 | | 公開日 | 2013-03-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of Mycobacterium Tuberculosis Nucleoside Diphosphate Kinase R80N Mutant in Complex with Citrate
Acta Crystallogr.,Sect.D, 70, 2014
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7UP6
 | | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | | 分子名称: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP4
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | | 分子名称: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP8
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7UP7
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | | 分子名称: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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8DOF
 | | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | | 分子名称: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ... | | 著者 | Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2022-07-13 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published
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8PQE
 | | c-KIT kinase domain in complex with avapritinib derivative 11 | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | 著者 | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQB
 | | c-KIT kinase domain in complex with avapritinib derivative 8 | | 分子名称: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | | 著者 | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2023-07-11 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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2D49
 | | Solution structure of the Chitin-Binding Domain of Streptomyces griseus Chitinase C | | 分子名称: | chitinase C | | 著者 | Akagi, K, Watanabe, J, Hara, M, Kezuka, Y, Chikaishi, E, Yamaguchi, T, Akutsu, H, Nonaka, T, Watanabe, T, Ikegami, T. | | 登録日 | 2005-10-11 | | 公開日 | 2006-10-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification of the substrate interaction region of the chitin-binding domain of Streptomyces griseus chitinase C
J.Biochem.(Tokyo), 139, 2006
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1DMK
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE | | 分子名称: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ... | | 著者 | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
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1XRG
 | | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 | | 分子名称: | Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION | | 著者 | Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-10-14 | | 公開日 | 2004-12-14 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conserved hypothetical protein from Clostridium thermocellum Cth-2968
To be published
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1XMA
 | | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | | 分子名称: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | | 著者 | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-10-01 | | 公開日 | 2004-12-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
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5V8T
 | | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354 | | 分子名称: | 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Lorimer, D.D, Dranow, D.M, Seufert, F, Abendroth, J, Holzgrabe, U. | | 登録日 | 2017-03-22 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354
to be published
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