5CLX
 
 | | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution | | 分子名称: | GLYCEROL, Transthyretin | | 著者 | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | 登録日 | 2015-07-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
To Be Published
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5GTP
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6UX1
 | | Carbonic Anhydrase II Complexed with Salicylic Acid | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Andring, J.T, Combs, J.E, McKenna, R. | | 登録日 | 2019-11-06 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Aspirin: A Suicide Inhibitor of Carbonic Anhydrase II.
Biomolecules, 10, 2020
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3K2H
 | | Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed and NADP | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2009-09-30 | | 公開日 | 2009-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
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9JFM
 | | Co-crystal Structure of sEH with tetrahydroberberine derivative | | 分子名称: | 1-[(13~{a}~{R})-2,3-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinolin-10-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | 著者 | Wang, H, Feng, Y, Du, X.Y. | | 登録日 | 2024-09-04 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | Co-crystal Structure of sEH with tetrahydroberberine derivative
To Be Published
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6E1M
 | | Structure of AtTPC1(DDE) reconstituted in saposin A | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CALCIUM ION, PALMITIC ACID, ... | | 著者 | Kintzer, A.F, Green, E.M, Cheng, Y, Stroud, R.M. | | 登録日 | 2018-07-10 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5BNJ
 | | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one | | 分子名称: | 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ... | | 著者 | Musil, D, Blagg, J, Wienke, D. | | 登録日 | 2015-05-26 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
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7EH1
 | | Thermus thermophilus transcription initiation complex containing a template-strand purine at position TSS-2, GpG RNA primer, and CMPcPP | | 分子名称: | 1,4-BUTANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (27-MER), ... | | 著者 | Li, L, Zhang, Y. | | 登録日 | 2021-03-27 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Promoter-sequence determinants and structural basis of primer-dependent transcription initiation in Escherichia coli .
Proc.Natl.Acad.Sci.USA, 118, 2021
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5FBM
 | | Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | | 分子名称: | DNA-binding protein HU | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | | 登録日 | 2015-12-14 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5FL1
 | | Structure of a hydrolase with an inhibitor | | 分子名称: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. | | 登録日 | 2015-10-20 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
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4D6C
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | 登録日 | 2014-11-11 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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6SMB
 | | Human jak1 kinase domain in complex with inhibitor | | 分子名称: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | | 著者 | Read, J.A, Steuber, H. | | 登録日 | 2019-08-21 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
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7CD9
 | | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | | 分子名称: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | | 著者 | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | | 登録日 | 2020-06-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5YN4
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5EF8
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7DHL
 | | Crystal structure of FGFR3 in complex with pyrimidine derivative | | 分子名称: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3 | | 著者 | Echizen, Y, Tateishi, Y, Amano, Y. | | 登録日 | 2020-11-16 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency.
Bioorg.Med.Chem., 33, 2021
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4Y7T
 | | Structural analysis of MurU | | 分子名称: | GLYCEROL, Nucleotidyl transferase, SULFATE ION | | 著者 | Renner-Schneck, M.G, Stehle, T. | | 登録日 | 2015-02-16 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
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6INI
 | | a glycosyltransferase complex with UDP and the product | | 分子名称: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Zhu, X, Yang, T, Naismith, J.H. | | 登録日 | 2018-10-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
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6V7C
 | | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3 | | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) | | 著者 | Palte, R.L. | | 登録日 | 2019-12-08 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
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7DIF
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution | | 分子名称: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ... | | 著者 | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-27 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1JV6
 | | BACTERIORHODOPSIN D85S/F219L DOUBLE MUTANT AT 2.00 ANGSTROM RESOLUTION | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | 著者 | Rouhani, S, Cartailler, J.-P, Facciotti, M.T, Walian, P, Needleman, R, Lanyi, J.K, Glaeser, R.M, Luecke, H. | | 登録日 | 2001-08-28 | | 公開日 | 2001-10-31 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the D85S mutant of bacteriorhodopsin: model of an O-like photocycle intermediate.
J.Mol.Biol., 313, 2001
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5EKY
 | | Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) | | 分子名称: | 1,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase | | 著者 | Classen, T, Dick, M, Pietruszka, J, Weiergraeber, O.H. | | 登録日 | 2015-11-04 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
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5GI7
 | | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ... | | 著者 | Yang, Y.C, Lin, S.J, Cheng, K.C, Cheng, H.C, Lyu, P.C. | | 登録日 | 2016-06-22 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | | 主引用文献 | An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase.
Commun Biol, 3, 2020
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5EFJ
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4YES
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