3TYD
 
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3KW4
 | | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine | | 分子名称: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | 著者 | Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R. | | 登録日 | 2009-11-30 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
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3BNY
 | | Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP) | | 分子名称: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | | 著者 | Shishova, E.Y, Christianson, D.W. | | 登録日 | 2007-12-14 | | 公開日 | 2008-03-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
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2QT5
 | | Crystal Structure of GRIP1 PDZ12 in Complex with the Fras1 Peptide | | 分子名称: | (ASN)(ASN)(LEU)(GLN)(ASP)(GLY)(THR)(GLU)(VAL), 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Long, J, Wei, Z, Feng, W, Zhao, Y, Zhang, M. | | 登録日 | 2007-08-01 | | 公開日 | 2008-06-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Supramodular nature of GRIP1 revealed by the structure of its PDZ12 tandem in complex with the carboxyl tail of Fras1.
J.Mol.Biol., 375, 2008
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7Z3Z
 | | Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound | | 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, STEARIC ACID, ... | | 著者 | Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E. | | 登録日 | 2022-03-03 | | 公開日 | 2022-05-04 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer
bioRxiv, 2020
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5J44
 | | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | | 著者 | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | | 登録日 | 2016-03-31 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.912 Å) | | 主引用文献 | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation.
Gut Microbes, 8, 2017
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4FI9
 | | Structure of human SUN-KASH complex | | 分子名称: | Nesprin-2, SUN domain-containing protein 2 | | 著者 | Wang, W.J, Shi, Z.B. | | 登録日 | 2012-06-08 | | 公開日 | 2012-07-18 | | 最終更新日 | 2013-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
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7YOJ
 | | Structure of CasPi with guide RNA and target DNA | | 分子名称: | CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ... | | 著者 | Li, C.P, Wang, J, Liu, J.J. | | 登録日 | 2022-08-01 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
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5FWU
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5FWV
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5FRK
 | | SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | | 分子名称: | AMYR | | 著者 | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | | 登録日 | 2015-12-18 | | 公開日 | 2017-02-15 | | 最終更新日 | 2019-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
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5FC8
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5QIN
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5QIM
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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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5QIL
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5QIK
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | | 分子名称: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2018-08-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
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3TK3
 | | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | | 分子名称: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-08-25 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8001 Å) | | 主引用文献 | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
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5X3E
 | | kinesin 6 | | 分子名称: | IODIDE ION, Kinesin-like protein, SULFATE ION | | 著者 | Chen, Z, Guan, R, Zhang, L. | | 登録日 | 2017-02-04 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin
Nat Commun, 8, 2017
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3ULS
 | | Crystal structure of Fab12 | | 分子名称: | Fab12 heavy chain, Fab12 light chain | | 著者 | Luo, J, Gilliland, G.L, Obmolova, O, Malia, T, Teplyakov, A. | | 登録日 | 2011-11-11 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | | 主引用文献 | Lateral Clustering of TLR3:dsRNA Signaling Units Revealed by TLR3ecd:3Fabs Quaternary Structure.
J.Mol.Biol., 421, 2012
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2RU9
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5KYJ
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | 分子名称: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | | 著者 | Chen, G, McKeever, B.M. | | 登録日 | 2016-07-21 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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5KYA
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | 分子名称: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | | 著者 | Chen, G, McKeever, B.M. | | 登録日 | 2016-07-21 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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5S9R
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | 分子名称: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9P
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | 著者 | Sheriff, S. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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