3EIL
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![BU of 3eil by Molmil](/molmil-images/mine/3eil) | Structure of B-DNA d(CGTTAATTAACG)2 in the presence of Manganese | 分子名称: | 5'-D(*DCP*DGP*DTP*DTP*DAP*DAP*DTP*DTP*DAP*DAP*DCP*DG)-3', MANGANESE (II) ION | 著者 | Millonig, H, Pous, J, Campos, L.J, Subirana, J.A. | 登録日 | 2008-09-16 | 公開日 | 2009-06-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The interaction of manganese ions with DNA J.Inorg.Biochem., 103, 2009
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3EJ8
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![BU of 3ej8 by Molmil](/molmil-images/mine/3ej8) | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-09-17 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EN7
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![BU of 3en7 by Molmil](/molmil-images/mine/3en7) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor | 分子名称: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | 著者 | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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1T32
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![BU of 1t32 by Molmil](/molmil-images/mine/1t32) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | 分子名称: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | 著者 | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | 登録日 | 2004-04-23 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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3E6O
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![BU of 3e6o by Molmil](/molmil-images/mine/3e6o) | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-15 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1T6U
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![BU of 1t6u by Molmil](/molmil-images/mine/1t6u) | Nickel Superoxide Dismutase (NiSOD) Native 1.30 A Structure | 分子名称: | NICKEL (II) ION, Superoxide dismutase [Ni] | 著者 | Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D. | 登録日 | 2004-05-07 | 公開日 | 2004-07-13 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Nickel superoxide dismutase structure and mechanism. Biochemistry, 43, 2004
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1TB0
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![BU of 1tb0 by Molmil](/molmil-images/mine/1tb0) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-19 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and kinetic characterization of active-site histidine as a proton shuttle in catalysis by human carbonic anhydrase II. Biochemistry, 44, 2005
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4B8S
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![BU of 4b8s by Molmil](/molmil-images/mine/4b8s) | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | 分子名称: | ADENOSINE MONOPHOSPHATE, ADP-DEPENDENT GLUCOKINASE, GLYCEROL, ... | 著者 | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | 登録日 | 2012-08-30 | 公開日 | 2013-07-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis. Plos One, 8, 2013
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1T6E
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![BU of 1t6e by Molmil](/molmil-images/mine/1t6e) | Crystal Structure of the Triticum aestivum xylanase inhibitor I | 分子名称: | GLYCEROL, xylanase inhibitor | 著者 | Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | 登録日 | 2004-05-06 | 公開日 | 2004-09-28 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I J.Biol.Chem., 279, 2004
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | 分子名称: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-25 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1T9A
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![BU of 1t9a by Molmil](/molmil-images/mine/1t9a) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl | 分子名称: | 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE, Acetolactate synthase, ... | 著者 | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | 登録日 | 2004-05-16 | 公開日 | 2004-12-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TE3
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![BU of 1te3 by Molmil](/molmil-images/mine/1te3) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-24 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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4B14
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![BU of 4b14 by Molmil](/molmil-images/mine/4b14) | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | 分子名称: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2012-07-06 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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1TEQ
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![BU of 1teq by Molmil](/molmil-images/mine/1teq) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, HYDROXIDE ION, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-25 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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3GLX
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![BU of 3glx by Molmil](/molmil-images/mine/3glx) | Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II) | 分子名称: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | 著者 | D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D. | 登録日 | 2009-03-12 | 公開日 | 2009-06-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K). J.Mol.Biol., 390, 2009
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3GYH
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![BU of 3gyh by Molmil](/molmil-images/mine/3gyh) | Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB | 分子名称: | 1-PYRIDIN-3-YLBUTAN-1-ONE, Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | 著者 | Tubbs, J.L, Arvai, A.S, Tainer, J.A, Shin, D.S. | 登録日 | 2009-04-03 | 公開日 | 2009-06-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Flipping of alkylated DNA damage bridges base and nucleotide excision repair. Nature, 459, 2009
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1W3A
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![BU of 1w3a by Molmil](/molmil-images/mine/1w3a) | Three dimensional structure of a novel pore-forming lectin from the mushroom Laetiporus sulphureus | 分子名称: | GLYCEROL, HEMOLYTIC LECTIN LSLA, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | 登録日 | 2004-07-14 | 公開日 | 2005-02-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars J.Biol.Chem., 280, 2005
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4B24
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![BU of 4b24 by Molmil](/molmil-images/mine/4b24) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | 分子名称: | 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2 | 著者 | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | 登録日 | 2012-07-12 | 公開日 | 2013-01-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4AXT
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![BU of 4axt by Molmil](/molmil-images/mine/4axt) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL, Control Experiment | 分子名称: | LYSOZYME C | 著者 | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | 登録日 | 2012-06-14 | 公開日 | 2012-10-24 | 最終更新日 | 2015-02-04 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0Z
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![BU of 4b0z by Molmil](/molmil-images/mine/4b0z) | Crystal structure of S. pombe Rpn12 | 分子名称: | 26S PROTEASOME REGULATORY SUBUNIT RPN12, GLYCEROL, MONOTHIOGLYCEROL, ... | 著者 | Boehringer, J, Riedinger, C, Paraskevopoulos, K, Johnson, E.O.D, Lowe, E.D, Khoudian, C, Smith, D, Noble, M.E.M, Gordon, C, Endicott, J.A. | 登録日 | 2012-07-06 | 公開日 | 2012-09-12 | 最終更新日 | 2012-11-07 | 実験手法 | X-RAY DIFFRACTION (1.585 Å) | 主引用文献 | Structural and Functional Characterisation of Rpn12 Identifies Residues Required for Rpn10 Proteasome Incorporation. Biochem.J., 448, 2012
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4B23
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![BU of 4b23 by Molmil](/molmil-images/mine/4b23) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | 分子名称: | 5'-D(*CP*GP*AP*TP*TP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*AP*AP*TP*CP*GP)-3', MAG2, ... | 著者 | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | 登録日 | 2012-07-12 | 公開日 | 2013-01-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4AXR
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![BU of 4axr by Molmil](/molmil-images/mine/4axr) | CRYSTAL STRUCTURE OF thaumatin FROM A AUTO-HARVESTED CRYSTAL | 分子名称: | L(+)-TARTARIC ACID, THAUMATIN-1 | 著者 | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | 登録日 | 2012-06-14 | 公開日 | 2012-10-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0D
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![BU of 4b0d by Molmil](/molmil-images/mine/4b0d) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL | 分子名称: | LYSOZYME C | 著者 | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | 登録日 | 2012-07-02 | 公開日 | 2012-10-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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3H94
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![BU of 3h94 by Molmil](/molmil-images/mine/3h94) | Crystal structure of the membrane fusion protein CusB from Escherichia coli | 分子名称: | Cation efflux system protein cusB, SILVER ION | 著者 | Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W. | 登録日 | 2009-04-30 | 公開日 | 2009-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.84 Å) | 主引用文献 | Crystal structure of the membrane fusion protein CusB from Escherichia coli J.Mol.Biol., 393, 2009
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4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (3.011 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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