4ML0
 
 | | Crystal structure of E.coli DinJ-YafQ complex | | 分子名称: | Predicted antitoxin of YafQ-DinJ toxin-antitoxin system, Predicted toxin of the YafQ-DinJ toxin-antitoxin system, SULFATE ION | | 著者 | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | | 登録日 | 2013-09-06 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
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5UYU
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | | 分子名称: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M, Sickmier, E.A. | | 登録日 | 2017-02-24 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
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4NJL
 | | Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core | | 分子名称: | S protein, TRIETHYLENE GLYCOL | | 著者 | Zhu, Y, Lu, L, Qin, L, Ye, S, Jiang, S, Zhang, R. | | 登録日 | 2013-11-10 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Nat Commun, 5, 2014
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4NIE
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6J21
 | | Crystal structure of the human NK1 substance P receptor | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | 著者 | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | 登録日 | 2018-12-30 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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6JLH
 | | Structure of SCGN in complex with a Snap25 peptide | | 分子名称: | CALCIUM ION, CHLORIDE ION, Secretagogin, ... | | 著者 | Qin, J, Sun, Q, Jia, D. | | 登録日 | 2019-03-05 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-04-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural and mechanistic insights into secretagogin-mediated exocytosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7BTK
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | | 分子名称: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | 著者 | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | | 登録日 | 2020-04-01 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6J20
 | | Crystal structure of the human NK1 substance P receptor | | 分子名称: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | 著者 | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | 登録日 | 2018-12-30 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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7EZP
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZF
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZR
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2021-06-01 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | | 主引用文献 | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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5WYH
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4DOU
 | | Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain | | 分子名称: | 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ... | | 著者 | Min, X, Walker, N.P, Wang, Z. | | 登録日 | 2012-02-10 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
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5XEG
 | | The structure of OsALKBH1 | | 分子名称: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Oxidoreductase, ... | | 著者 | Wang, C, Guo, Y, Zeng, Z. | | 登録日 | 2017-04-05 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
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2PMW
 | | The Crystal Structure of Proprotein convertase subtilisin kexin type 9 (PCSK9) | | 分子名称: | Proprotein convertase subtilisin/kexin type 9, SULFATE ION | | 著者 | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | | 登録日 | 2007-04-23 | | 公開日 | 2007-05-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Crystal Structure of PCSK9: A Regulator of Plasma LDL-Cholesterol.
Structure, 15, 2007
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4EQC
 | | Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor | | 分子名称: | 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1 | | 著者 | Maksimoska, J, Marmorstein, R. | | 登録日 | 2012-04-18 | | 公開日 | 2013-08-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas.
J.Biol.Chem., 288, 2013
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4FFW
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | | 分子名称: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2021-05-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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5XOI
 | | The structure of OsALKBH1 | | 分子名称: | MANGANESE (II) ION, Oxidoreductase, 2OG-Fe oxygenase family protein, ... | | 著者 | Wang, C, Guo, Y, Zeng, Z. | | 登録日 | 2017-05-28 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
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4FFV
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | 分子名称: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2021-05-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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4G34
 | | Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution | | 分子名称: | 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | 著者 | Gampe, R.T, Axten, J.M. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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4G31
 | | Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution | | 分子名称: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL | | 著者 | Gampe, R.T, Axten, J.M. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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1IG6
 | | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES | | 分子名称: | MODULATOR RECOGNITION FACTOR 2 | | 著者 | Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y. | | 登録日 | 2001-04-17 | | 公開日 | 2001-04-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
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7DTE
 | | SARS-CoV-2 RdRP catalytic complex with T33-1 RNA | | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ... | | 著者 | Wang, Q, Gong, P. | | 登録日 | 2021-01-04 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
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7FFG
 | | Diarylpentanoid-producing polyketide synthase (N199F mutant) | | 分子名称: | Type III polyketide synthase | | 著者 | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | | 登録日 | 2021-07-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
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7FFA
 | | Diarylpentanoid-producing polyketide synthase from Aquilaria sinensis | | 分子名称: | Type III polyketide synthase | | 著者 | Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y. | | 登録日 | 2021-07-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
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