7E6A
 
 | | Crystal structure of cysteine desulfurase SufS C361A from Bacillus subtilis | | 分子名称: | 1,2-ETHANEDIOL, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2021-02-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6F
 | | Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in L-cycloserine-inhibition | | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2021-02-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6B
 | | Crystal structure of PMP-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis | | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2021-02-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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4Z2I
 | | Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 | | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ... | | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | | 登録日 | 2015-03-30 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase
J.Med.Chem., 58, 2015
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4MS2
 | | Structural basis of Ca2+ selectivity of a voltage-gated calcium channel | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | | 著者 | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | 登録日 | 2013-09-18 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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7EBA
 | | Co-crystal of kurarinone with sEH | | 分子名称: | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2 | | 著者 | Sun, C.P, Ma, X.C. | | 登録日 | 2021-03-09 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4MTF
 | | Structural Basis of Ca2+ Selectivity of a Voltage-gated Calcium Channel | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | | 著者 | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | 登録日 | 2013-09-19 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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6KID
 | | Crystal structure of human leucyl-tRNA synthetase, ATP-bound form | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, LEUCINE, Leucine--tRNA ligase, ... | | 著者 | Kim, S, Son, J, Kim, S, Hwang, K.Y. | | 登録日 | 2019-07-18 | | 公開日 | 2021-01-27 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Leucine-sensing mechanism of leucyl-tRNA synthetase 1 for mTORC1 activation.
Cell Rep, 35, 2021
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6EO6
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ... | | 著者 | Dolot, R.M, Nawrot, B, Yang, X. | | 登録日 | 2017-10-09 | | 公開日 | 2017-10-25 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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7API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | | 著者 | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | 登録日 | 1988-09-08 | | 公開日 | 1990-10-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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9FSV
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 16 | | 分子名称: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-22 | | 公開日 | 2024-07-17 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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9FIH
 | | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-29 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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1POC
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4ZAL
 | | Structure of UbiX E49Q mutant in complex with reduced FMN and dimethylallyl monophosphate | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, THIOCYANATE ION, ... | | 著者 | White, M.D, Leys, D. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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3KL6
 | | Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, CALCIUM ION, ... | | 著者 | Aertgeerts, K. | | 登録日 | 2009-11-06 | | 公開日 | 2009-12-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.
J.Med.Chem., 53, 2010
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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2RA9
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4MVM
 | | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | | 著者 | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | 登録日 | 2013-09-24 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.1997 Å) | | 主引用文献 | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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5DUG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6K5Z
 | | Structure of uridylyltransferase | | 分子名称: | FE (III) ION, Galactose-1-phosphate uridylyltransferase, PHOSPHATE ION, ... | | 著者 | Sakuraba, H, Ohshida, T, Yoneda, K, Ohshima, T. | | 登録日 | 2019-05-31 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Unique active site formation in a novel galactose 1-phosphate uridylyltransferase from the hyperthermophilic archaeon Pyrobaculum aerophilum.
Proteins, 88, 2020
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5MYA
 | | Homodimerization of Tie2 Fibronectin-like domains 1-3 in space group C2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | | 著者 | Leppanen, V.-M, Saharinen, P, Alitalo, K. | | 登録日 | 2017-01-26 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5JYO
 | | Allosteric inhibition of Kidney Isoform of Glutaminase | | 分子名称: | 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Sivaraman, J, Jayaraman, S. | | 登録日 | 2016-05-15 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | | 主引用文献 | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase.
Oncotarget, 7, 2016
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5MWW
 | | Sigma1.1 domain of sigmaA from Bacillus subtilis | | 分子名称: | RNA polymerase sigma factor SigA | | 著者 | Zachrdla, M, Padrta, P, Rabatinova, A, Sanderova, H, Barvik, I, Krasny, L, Zidek, L. | | 登録日 | 2017-01-20 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of domain 1.1 of the sigma (A) factor from Bacillus subtilis is preformed for binding to the RNA polymerase core.
J. Biol. Chem., 292, 2017
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3KMX
 | | Structure of BACE bound to SCH346572 | | 分子名称: | 4-butoxy-3-chlorobenzyl imidothiocarbamate, Beta-secretase 1 | | 著者 | Strickland, C, Wang, Y. | | 登録日 | 2009-11-11 | | 公開日 | 2010-01-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
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4Z50
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap | | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | | 著者 | Agniswamy, J, Shen, C.-H, Weber, I.T. | | 登録日 | 2015-04-02 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Conformational variation of an extreme drug resistant mutant of HIV protease.
J.Mol.Graph.Model., 62, 2015
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