6HWO
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | 分子名称: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-10-12 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5XIK
| Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with tetrahydro quinazolinone febrifugine | 分子名称: | 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Jain, V, Manickam, Y, Sharma, A. | 登録日 | 2017-04-26 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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3BHQ
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6JNF
| Cryo-EM structure of the translocator of the outer mitochondrial membrane | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | 著者 | Araiso, Y, Tsutsumi, A, Suzuki, J, Yunoki, K, Kawano, S, Kikkawa, M, Endo, T. | 登録日 | 2019-03-14 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | 主引用文献 | Structure of the mitochondrial import gate reveals distinct preprotein paths. Nature, 575, 2019
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3SOR
| Factor XIa in complex with a clorophenyl-tetrazole inhibitor | 分子名称: | CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | 著者 | Kazemier, B, Oubrie, A. | 登録日 | 2011-06-30 | 公開日 | 2012-04-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors. Acta Crystallogr.,Sect.F, 68, 2012
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6CY8
| Crystal structure of FAD-dependent dehydrogenase | 分子名称: | 4'-PHOSPHOPANTETHEINE, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ... | 著者 | Agarwal, V. | 登録日 | 2018-04-05 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.729 Å) | 主引用文献 | Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein. Biochemistry, 58, 2019
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4YMR
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4IDT
| Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) | 分子名称: | 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Liu, J, Sudom, A, Wang, Z. | 登録日 | 2012-12-13 | 公開日 | 2013-04-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
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6T59
| Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 and nascent chain-associated complex | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | 著者 | Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S. | 登録日 | 2019-10-15 | 公開日 | 2019-11-27 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | 主引用文献 | TTC5 mediates autoregulation of tubulin via mRNA degradation. Science, 367, 2020
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6C31
| Crystal structure of TetR family protein Rv0078 in complex with DNA | 分子名称: | DNA (5'-D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP*A)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3'), TetR family transcriptional regulator | 著者 | Hsu, H.C, Li, H. | 登録日 | 2018-01-09 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Cytokinin Signaling in Mycobacterium tuberculosis. MBio, 9, 2018
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4M4Q
| 6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease | 分子名称: | 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-07 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5U
| 5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase PA, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease. Bioorg.Med.Chem., 21, 2013
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4ISI
| Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE | 分子名称: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ... | 著者 | Wei, A. | 登録日 | 2013-01-16 | 公開日 | 2013-02-27 | 最終更新日 | 2013-03-06 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6TCX
| Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis | 分子名称: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Papain | 著者 | Kraemer, A, Juettner, N.E, Fuchsbauer, H.-L, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-11-06 | 公開日 | 2019-12-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Decoding the Papain Inhibitor from Streptomyces mobaraensis as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway. J.Nat.Prod., 83, 2020
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6WUG
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7CJ7
| Crystal structure of homo dimeric D-allulose 3-epimerase from Methylomonas sp. in complex with L-tagatose | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol, Epimerase, L-sorbose, ... | 著者 | Yoshida, H, Yoshihara, A, Kamitori, S. | 登録日 | 2020-07-09 | 公開日 | 2021-04-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | 主引用文献 | Crystal structure of a novel homodimeric l-ribulose 3-epimerase from Methylomonus sp. Febs Open Bio, 11, 2021
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2V79
| Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | 分子名称: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | 著者 | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | 登録日 | 2007-07-27 | 公開日 | 2008-01-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation. J.Mol.Biol., 376, 2008
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3FXU
| Crystal structure of TsaR in complex with its effector p-toluenesulfonate | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I. | 登録日 | 2009-01-21 | 公開日 | 2010-01-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold Mol.Microbiol., 75, 2010
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6GXQ
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | 分子名称: | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-06-27 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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3G7R
| Crystal structure of SCO4454, a TetR-family transcriptional regulator from Streptomyces coelicolor | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Singer, A.U, Xu, X, Chang, C, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-02-10 | 公開日 | 2009-03-10 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structure and ligand specificity of SCO4454, a TetR-family transcriptional regulator from Streptomyces coelicolor To be Published
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4NMA
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4MRF
| Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule | 分子名称: | 1,2,3,4-tetrahydroisoquinoline, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Liu, L.K, Finzel, B. | 登録日 | 2013-09-17 | 公開日 | 2014-04-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
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5V4Y
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-09510 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2017-03-11 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | GRL-09510, a Unique P2-Crown-Tetrahydrofuranylurethane -Containing HIV-1 Protease Inhibitor, Maintains Its Favorable Antiviral Activity against Highly-Drug-Resistant HIV-1 Variants in vitro. Sci Rep, 7, 2017
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4G5P
| Crystal structure of EGFR kinase T790M in complex with BIBW2992 | 分子名称: | Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | 著者 | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | 登録日 | 2012-07-18 | 公開日 | 2012-08-29 | 最終更新日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. J.Pharmacol.Exp.Ther., 343, 2012
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3WF9
| Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate | 分子名称: | (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | 著者 | Niwa, H, Shirouzu, M, Yokoyama, S. | 登録日 | 2013-07-17 | 公開日 | 2014-08-06 | 最終更新日 | 2014-10-29 | 実験手法 | X-RAY DIFFRACTION (2.035 Å) | 主引用文献 | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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