4LS8
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![BU of 4ls8 by Molmil](/molmil-images/mine/4ls8) | Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a covalent complex with cerulenin | 分子名称: | (3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | 著者 | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | 登録日 | 2013-07-22 | 公開日 | 2014-04-02 | 最終更新日 | 2014-06-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into bacterial resistance to cerulenin. Febs J., 281, 2014
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4M19
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4D8K
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4M1Y
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![BU of 4m1y by Molmil](/molmil-images/mine/4m1y) | Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-08-04 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.491 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4M3F
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![BU of 4m3f by Molmil](/molmil-images/mine/4m3f) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | 分子名称: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | 著者 | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | 登録日 | 2013-08-06 | 公開日 | 2014-06-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
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4M84
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4MB7
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4D8G
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![BU of 4d8g by Molmil](/molmil-images/mine/4d8g) | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn) | 分子名称: | FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta | 著者 | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | 登録日 | 2012-01-10 | 公開日 | 2012-02-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1. J.Am.Chem.Soc., 134, 2012
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4MGT
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![BU of 4mgt by Molmil](/molmil-images/mine/4mgt) | ALKBH2 R110A cross-linked to undamaged dsDNA | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA1, DNA2, ... | 著者 | Chen, B, Gan, J, Yang, C.G. | 登録日 | 2013-08-28 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The complex structures of ALKBH2 mutants cross-linked to
dsDNA reveal the conformational swing of β-hairpin Sci China Chem, 57, 2014
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4MHG
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![BU of 4mhg by Molmil](/molmil-images/mine/4mhg) | Crystal structure of ETV6 bound to a specific DNA sequence | 分子名称: | Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 | 著者 | Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. | 登録日 | 2013-08-29 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
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4LSU
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![BU of 4lsu by Molmil](/molmil-images/mine/4lsu) | Crystal structure of broadly and potently neutralizing antibody VRC-PG20 in complex with HIV-1 clade A/E 93TH057 gp120 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Zhou, T, Moquin, S, Kwong, P.D. | 登録日 | 2013-07-23 | 公開日 | 2013-08-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies. Immunity, 39, 2013
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4LUE
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![BU of 4lue by Molmil](/molmil-images/mine/4lue) | Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | 分子名称: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | 著者 | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | 登録日 | 2013-07-25 | 公開日 | 2014-02-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4MAX
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![BU of 4max by Molmil](/molmil-images/mine/4max) | Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme modification | 分子名称: | HEME B/C, SULFATE ION, cyanoglobin | 著者 | Wenke, B.B, Schlessman, J.L, Heroux, A, Lecomte, J.T.J. | 登録日 | 2013-08-18 | 公開日 | 2013-08-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.444 Å) | 主引用文献 | The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures. Proteins, 82, 2014
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4LY6
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![BU of 4ly6 by Molmil](/molmil-images/mine/4ly6) | Nucleotide-induced asymmetry within ATPase activator ring drives s54-RNAP interaction and ATP hydrolysis | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ... | 著者 | Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T. | 登録日 | 2013-07-30 | 公開日 | 2013-12-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis. Genes Dev., 27, 2013
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4MD9
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4LCB
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![BU of 4lcb by Molmil](/molmil-images/mine/4lcb) | Structure of Vps4 homolog from Acidianus hospitalis | 分子名称: | CHLORIDE ION, Cell division protein CdvC, Vps4 | 著者 | Han, H, Hill, C.P, Whitby, F.G, Monroe, N. | 登録日 | 2013-06-21 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | The Oligomeric State of the Active Vps4 AAA ATPase. J.Mol.Biol., 426, 2014
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4KUE
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4KV2
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4KW9
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4KWI
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![BU of 4kwi by Molmil](/molmil-images/mine/4kwi) | The crystal structure of angucycline C-6 ketoreductase LanV with bound NADP and 11-deoxy-6-oxylandomycinone | 分子名称: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Paananen, P, Patrikainen, P, Mantsala, P, Niemi, J, Niiranen, L, Metsa-Ketela, M. | 登録日 | 2013-05-24 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and functional analysis of angucycline C-6 ketoreductase LanV involved in landomycin biosynthesis. Biochemistry, 52, 2013
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4KWT
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![BU of 4kwt by Molmil](/molmil-images/mine/4kwt) | Crystal structure of unliganded anabolic ornithine carbamoyltransferase from Vibrio vulnificus at 1.86 A resolution | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Ornithine carbamoyltransferase | 著者 | Shabalin, I.G, Bacal, P, Bajor, J, Winsor, J, Grimshaw, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-05-24 | 公開日 | 2013-06-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis To be Published
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4KYA
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![BU of 4kya by Molmil](/molmil-images/mine/4kya) | Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Sharma, H, Anderson, K.S. | 登録日 | 2013-05-28 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.263 Å) | 主引用文献 | Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections. ACS Med Chem Lett, 4, 2013
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4L2W
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4L4S
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![BU of 4l4s by Molmil](/molmil-images/mine/4l4s) | Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain | 著者 | Dempster, S, Harper, S, Moses, J.E, Dreveny, I. | 登録日 | 2013-06-09 | 公開日 | 2014-04-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase. Acta Crystallogr.,Sect.D, 70, 2014
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4L5C
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![BU of 4l5c by Molmil](/molmil-images/mine/4l5c) | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121 | 分子名称: | ADENINE, GLYCEROL, S-methyl-5'-thioadenosine phosphorylase | 著者 | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2013-06-10 | 公開日 | 2014-06-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.075 Å) | 主引用文献 | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. Plos Negl Trop Dis, 10, 2016
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