1MHU
 
 | | THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | 分子名称: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | | 著者 | Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | | 登録日 | 1990-05-14 | | 公開日 | 1991-04-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
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1NQP
 | | Crystal structure of Human hemoglobin E at 1.73 A resolution | | 分子名称: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | 著者 | Dasgupta, J, Sen, U, Choudhury, D, Dutta, P, Basu, S, Chakrabarti, A, Chakrabarty, A, Dattagupta, J.K. | | 登録日 | 2003-01-22 | | 公開日 | 2004-03-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Crystallization and preliminary X-ray structural Studies of Hemoglobin A2 and Hemoglobin E, isolated from the blood samples of Beta-thalassemic patients
Biochem.Biophys.Res.Commun., 303, 2004
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | 分子名称: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | 著者 | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | 登録日 | 2012-01-23 | | 公開日 | 2012-03-14 | | 最終更新日 | 2012-04-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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5ESN
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure | | 分子名称: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
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5ESM
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole | | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
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4L0A
 | | X-ray structure of an all LNA quadruplex | | 分子名称: | DNA/RNA (5'-R(*(TLN)P*(LCG)P*(LCG)P*(LCG)P*(TLN))-3'), GLYCEROL, POTASSIUM ION | | 著者 | Russo Krauss, I, Parkinson, G, Merlino, A, Mazzarella, L, Sica, F. | | 登録日 | 2013-05-31 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex.
Acta Crystallogr.,Sect.D, 70, 2014
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1VRH
 | | HRV14/SDZ 880-061 COMPLEX | | 分子名称: | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14 | | 著者 | Oren, D.A, Zhang, A, Arnold, E. | | 登録日 | 1996-02-26 | | 公開日 | 1997-02-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
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5EU1
 | | CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | | 分子名称: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | | 著者 | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2015-11-18 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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1VGG
 | | Crystal Structure of the Conserved Hypothetical Protein TTHA1091 from Thermus Thermophilus HB8 | | 分子名称: | Conserved Hypothetical Protein TT1634 (TTHA1091) | | 著者 | Satoh, S, Yao, M, Kousumi, Y, Ebihara, A, Matsumoto, K, Okamoto, A, Tanaka, I, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2004-04-26 | | 公開日 | 2004-10-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of the Conserved Hypothetical Protein TT1634 from Thermus Thermophilus HB8
To be Published
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8URW
 | | Cyanobacterial RNA polymerase elongation complex with NusG and CTP | | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S. | | 登録日 | 2023-10-26 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1H2D
 | | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant). | | 分子名称: | 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40 | | 著者 | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | | 登録日 | 2002-08-06 | | 公開日 | 2003-04-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
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1GTK
 | | Time-resolved and static-ensemble structural chemistry of hydroxymethylbilane synthase | | 分子名称: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PORPHOBILINOGEN DEAMINASE | | 著者 | Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A. | | 登録日 | 2002-01-16 | | 公開日 | 2003-01-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Time-Resolved and Static-Ensemble Structural Chemistry of Hydroxymethylbilane Synthase
Faraday Discuss., 122, 2003
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5JED
 | | Apo-structure of humanised RadA-mutant humRadA28 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2016-04-18 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.332 Å) | | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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4CI9
 | | Crystal structure of cathepsin A, apo-structure | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | | 登録日 | 2013-12-06 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
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1H4M
 | | Sulfurtransferase from Azotobacter vinelandii in complex with phosphate | | 分子名称: | 1,2-ETHANEDIOL, PUTATIVE THIOSULFATE SULFURTRANSFERASE | | 著者 | Bordo, D, Forlani, F, Spallarossa, A, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M. | | 登録日 | 2001-05-11 | | 公開日 | 2002-05-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Persulfurated Cysteine Promotes Active Site Reactivity in Azotobacter Vinelandii Rhodanse
Biol.Chem., 382, 2001
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4CIA
 | | Crystal structure of cathepsin A, complexed with compound 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, LYSOSOMAL PROTECTIVE PROTEIN, ... | | 著者 | Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T. | | 登録日 | 2013-12-06 | | 公開日 | 2014-02-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
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3JAX
 | | Heavy meromyosin from Schistosoma mansoni muscle thick filament by negative stain EM | | 分子名称: | myosin 2 heavy chain, myosin regulatory light chain, smooth muscle myosin essential light chain | | 著者 | Sulbaran, G, Alamo, L, Pinto, A, Marquez, G, Mendez, F, Padron, R, Craig, R. | | 登録日 | 2015-07-03 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (23 Å) | | 主引用文献 | An invertebrate smooth muscle with striated muscle myosin filaments.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8UTA
 | | yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N | | 分子名称: | Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ... | | 著者 | Krochmal, D, Lewicka, A, Piccirilli, J.A. | | 登録日 | 2023-10-30 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
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2CLV
 | | MHC Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM8 peptide | | 分子名称: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | 著者 | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | 登録日 | 2006-05-02 | | 公開日 | 2006-06-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Distinct orientation of the alloreactive monoclonal CD8 T cell activation program by three different peptide/MHC complexes.
Eur. J. Immunol., 36, 2006
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1W0W
 | | Crystal Structure Of HLA-B*2709 Complexed With the self-Peptide TIS from EGF-response factor 1 | | 分子名称: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | | 著者 | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | 登録日 | 2004-06-14 | | 公開日 | 2005-03-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide
J.Mol.Biol., 346, 2005
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8UIW
 | | yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N | | 分子名称: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ... | | 著者 | Krochmal, D, Lewicka, A, Piccirilli, J.A. | | 登録日 | 2023-10-10 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
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4CRE
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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5EFV
 | | The host-recognition device of Staphylococcus aureus phage Phi11 | | 分子名称: | FE (III) ION, Phi ETA orf 56-like protein | | 著者 | Koc, C, Kuhner, P, Xia, G, Spinelli, S, Roussel, A, Cambillau, C, Stehle, T. | | 登録日 | 2015-10-26 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the host-recognition device of Staphylococcus aureus phage 11.
Sci Rep, 6, 2016
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3JUT
 | | Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid | | 分子名称: | 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1 | | 著者 | Fernandez, I.S, Gimenez-Gallego, G, Romero, A. | | 登録日 | 2009-09-15 | | 公開日 | 2010-02-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
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1W28
 | | Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | | 分子名称: | DEACETOXYCEPHALOSPORIN C SYNTHASE | | 著者 | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | | 登録日 | 2004-06-30 | | 公開日 | 2004-09-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
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