5L30
| Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | 分子名称: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | 著者 | Wei, A. | 登録日 | 2016-08-02 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4RZA
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1D8A
| E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | 著者 | Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B. | 登録日 | 1999-10-21 | 公開日 | 1999-10-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular basis of triclosan activity. Nature, 398, 1999
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5KZ0
| Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | 分子名称: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | 著者 | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | 登録日 | 2016-07-22 | 公開日 | 2016-08-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations. J. Med. Chem., 57, 2014
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3SLM
| Crystal structure of the 2'- Deoxyguanosine riboswitch bound to 2'-deoxyguanosine-5'-monophosphate | 分子名称: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (68-MER), ... | 著者 | Pikovskaya, O, Polonskaia, A, Patel, D.J, Serganov, A.A. | 登録日 | 2011-06-24 | 公開日 | 2011-08-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat.Chem.Biol., 7, 2011
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5L04
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7JWL
| Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | 分子名称: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | 著者 | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | 登録日 | 2020-08-25 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational design of a new antibiotic class for drug-resistant infections. Nature, 597, 2021
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5L4Z
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4U1M
| HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | 登録日 | 2014-07-15 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4TWO
| Human EphA3 Kinase domain in complex with compound 164 | 分子名称: | 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid, Ephrin type-A receptor 3 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-07-01 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | 主引用文献 | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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5I87
| Crystal structure of BT-CD domains of human acetyl-CoA carboxylase | 分子名称: | BT-CD domains of human acetyl-CoA carboxylase, CADMIUM ION | 著者 | Stuttfeld, E, Hunkeler, M, Hagmann, A, Imseng, S, Maier, T. | 登録日 | 2016-02-18 | 公開日 | 2016-04-20 | 最終更新日 | 2016-04-27 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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4TYE
| Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | 分子名称: | Fibroblast growth factor receptor 4, PHOSPHATE ION | 著者 | Lesca, E, Lammens, A, Huber, R, Augustin, M. | 登録日 | 2014-07-08 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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4TYJ
| Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Fibroblast growth factor receptor 4, ... | 著者 | Lesca, E, Lammens, A, Huber, R, Augustin, M. | 登録日 | 2014-07-08 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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4TZ9
| Structure of Metallo-beta-lactamase | 分子名称: | CADMIUM ION, COBALT (II) ION, Class B metallo-beta-lactamase, ... | 著者 | Ferguson, J.A, Brem, J, Makena, A, McDonough, A.M, Schofield, C.J. | 登録日 | 2014-07-09 | 公開日 | 2015-07-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1269 Å) | 主引用文献 | Structure of Metallo-beta-lactamase To Be Published
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4TZE
| Structure of metallo-beta-lactamase | 分子名称: | Class B carbapenemase NDM-5, ZINC ION | 著者 | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-07-10 | 公開日 | 2015-07-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.574 Å) | 主引用文献 | stucuture of metallo-beta-lactamase To Be Published
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4TZK
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | 分子名称: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | 登録日 | 2014-07-10 | 公開日 | 2014-08-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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8RPM
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4U1I
| HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | 登録日 | 2014-07-15 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4U1P
| Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide | 分子名称: | Middle T antigen, POLYETHYLENE GLYCOL (N=34), SODIUM ION, ... | 著者 | Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. | 登録日 | 2014-07-16 | 公開日 | 2015-07-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide To Be Published
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3HX4
| Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium | 分子名称: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, MacKenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | 登録日 | 2009-06-19 | 公開日 | 2009-07-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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4TWL
| Crystal structure of dioscorin complexed with ascorbate | 分子名称: | ASCORBIC ACID, Dioscorin 5, SULFATE ION | 著者 | Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. | 登録日 | 2014-07-01 | 公開日 | 2015-04-01 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
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5II3
| The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | 著者 | Ferraro, G, Merlino, A. | 登録日 | 2016-03-01 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
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4TZF
| Structure of metallo-beta lactamase | 分子名称: | NDM-8 metallo-beta-lactamase, ZINC ION | 著者 | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-07-10 | 公開日 | 2015-07-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | structure of metallo-beta lactamase To Be Published
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1CN1
| CRYSTAL STRUCTURE OF DEMETALLIZED CONCANAVALIN A. THE METAL-BINDING REGION | 分子名称: | CONCANAVALIN A | 著者 | Shoham, M, Yonath, A, Sussman, J.L, Moult, J, Traub, W, Gilboa(Kalb), A.J. | 登録日 | 1981-12-21 | 公開日 | 1982-03-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structure of demetallized concanavalin A: the metal-binding region. J.Mol.Biol., 131, 1979
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4U06
| Structure of Leptospira interrogans LRR protein LIC10831 | 分子名称: | CHLORIDE ION, LIC10831, ZINC ION | 著者 | Shepard, W, Saul, F.A, Haouz, A, Picardeau, M. | 登録日 | 2014-07-11 | 公開日 | 2015-06-03 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans. Acta Crystallogr.,Sect.D, 71, 2015
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