6SCV
 
 | | Endothiapepsin in complex with ligand 69 | | 分子名称: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | | 著者 | Magari, F, Heine, A, Klebe, G. | | 登録日 | 2019-07-25 | | 公開日 | 2020-08-26 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Endothiapepsin in complex with ligand 69
To Be Published
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4GFO
 | | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | | 分子名称: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2012-08-03 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
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5O6C
 | | Crystal Structure of a threonine-selective RCR E3 ligase | | 分子名称: | E3 ubiquitin-protein ligase MYCBP2, ZINC ION | | 著者 | Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S. | | 登録日 | 2017-06-06 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity.
Nature, 556, 2018
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7ZUR
 | | Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | | 分子名称: | 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | | 著者 | Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F. | | 登録日 | 2022-05-13 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
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7WBZ
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6YCQ
 | | Crystal structure of the DNA binding domain of Arabidopsis thaliana Auxin Response Factor 1 (AtARF1) in complex with High Affinity DNA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 21-7A, 21-7B, ... | | 著者 | Crespo, I, Weijers, D, Boer, D.R. | | 登録日 | 2020-03-18 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Architecture of DNA elements mediating ARF transcription factor binding and auxin-responsive gene expression in Arabidopsis .
Proc.Natl.Acad.Sci.USA, 117, 2020
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7WC0
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7WCD
 | | Cryo EM structure of SARS-CoV-2 spike in complex with TAU-2212 mAbs in conformation 4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ... | | 著者 | Xiang, Y, Ma, B, Li, R. | | 登録日 | 2021-12-19 | | 公開日 | 2022-08-10 | | 最終更新日 | 2022-08-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational flexibility in neutralization of SARS-CoV-2 by naturally elicited anti-SARS-CoV-2 antibodies.
Commun Biol, 5, 2022
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4GIH
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4GFM
 | | JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | | 分子名称: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2012-08-03 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
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4GMY
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8AAD
 | | Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | | 分子名称: | 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | | 著者 | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F. | | 登録日 | 2022-07-01 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
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1CZN
 | | REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANACYSTIS NIDULANS | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | 著者 | Smith, W.W, Pattridge, K.A, Luschinsky, C.L, Ludwig, M.L. | | 登録日 | 1999-09-03 | | 公開日 | 1999-12-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Refined structures of oxidized flavodoxin from Anacystis nidulans.
J.Mol.Biol., 294, 1999
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6O6F
 | | Co-crystal structure of Mcl1 with inhibitor | | 分子名称: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Huang, X. | | 登録日 | 2019-03-06 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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4L98
 | | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | | 登録日 | 2013-06-18 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
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4L96
 | | Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222) | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Pasquo, A, Lori, C, Laghezza, A, Loiodice, F. | | 登録日 | 2013-06-18 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
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6JEO
 | | Structure of PSI tetramer from Anabaena | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | | 登録日 | 2019-02-06 | | 公開日 | 2019-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy.
Nat Commun, 10, 2019
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2CPP
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4XE1
 | | Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | | 分子名称: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Alterio, V, De Simone, G. | | 登録日 | 2014-12-21 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor.
Org.Biomol.Chem., 13, 2015
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487D
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8WD0
 | | Crystal structure of T2R-TTL-Erianin complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ... | | 著者 | Yang, J. | | 登録日 | 2023-09-14 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Bioorg.Chem., 150, 2024
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7YRU
 | | ALK2 antibody complex | | 分子名称: | Activin receptor type-1, antibody heavy chain, antibody light chain | | 著者 | Kawaguchi, Y, Nakamura, K, Suzuki, M, Tsuji, S, Katagiri, T. | | 登録日 | 2022-08-10 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A blocking monoclonal antibody reveals dimerization of intracellular domains of ALK2 associated with genetic disorders.
Nat Commun, 14, 2023
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6ZGX
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | 分子名称: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | 登録日 | 2020-06-20 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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6ZGY
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | 分子名称: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | 登録日 | 2020-06-20 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5ZG3
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137 | | 分子名称: | 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | 登録日 | 2018-03-07 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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