5TXT
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![BU of 5txt by Molmil](/molmil-images/mine/5txt) | Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ... | 著者 | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | 登録日 | 2016-11-17 | 公開日 | 2018-03-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme. Structure, 26, 2018
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5VIC
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![BU of 5vic by Molmil](/molmil-images/mine/5vic) | Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII | 分子名称: | Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain | 著者 | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2017-04-14 | 公開日 | 2017-05-03 | 最終更新日 | 2017-05-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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5VIG
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![BU of 5vig by Molmil](/molmil-images/mine/5vig) | Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII | 分子名称: | CITRATE ANION, Fab heavy chain, Fab light chain, ... | 著者 | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2017-04-16 | 公開日 | 2017-05-03 | 最終更新日 | 2017-05-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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5UZA
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![BU of 5uza by Molmil](/molmil-images/mine/5uza) | Adenine riboswitch aptamer domain labelled with iodo-uridine by position-selective labelling of RNA (PLOR) | 分子名称: | ADENINE, MAGNESIUM ION, RNA (71-MER) | 著者 | Liu, Y, Stagno, J.R, Wang, Y.-X. | 登録日 | 2017-02-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Incorporation of isotopic, fluorescent, and heavy-atom-modified nucleotides into RNAs by position-selective labeling of RNA. Nat Protoc, 13, 2018
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5UW3
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![BU of 5uw3 by Molmil](/molmil-images/mine/5uw3) | PCY1 in Complex with Follower Peptide | 分子名称: | CACODYLATE ION, Peptide cyclase 1, Presegetalin A1 | 著者 | Chekan, J.R, Nair, S.K. | 登録日 | 2017-02-20 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UZW
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5VS7
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![BU of 5vs7 by Molmil](/molmil-images/mine/5vs7) | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac | 分子名称: | Bromodomain protein, putative, CHLORIDE ION, ... | 著者 | Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-11 | 公開日 | 2017-05-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac To be published
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5TCK
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![BU of 5tck by Molmil](/molmil-images/mine/5tck) | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine | 分子名称: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ... | 著者 | Lin, L.-H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-15 | 公開日 | 2016-11-09 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine To Be Published
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5TFD
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![BU of 5tfd by Molmil](/molmil-images/mine/5tfd) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-24 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TKR
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![BU of 5tkr by Molmil](/molmil-images/mine/5tkr) | Crystal structure of a Lipomyces starkeyi levoglucosan kinase G359R mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, MAGNESIUM ION, ... | 著者 | Bacik, J.P, Klesmith, J.R, Michalczyk, R, Whitehead, T.A. | 登録日 | 2016-10-07 | 公開日 | 2017-02-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Trade-offs between enzyme fitness and solubility illuminated by deep mutational scanning. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TFB
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![BU of 5tfb by Molmil](/molmil-images/mine/5tfb) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-24 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5TFI
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![BU of 5tfi by Molmil](/molmil-images/mine/5tfi) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | 登録日 | 2016-09-25 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5SV4
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5SZX
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![BU of 5szx by Molmil](/molmil-images/mine/5szx) | Epstein-Barr virus Zta DNA binding domain homodimer in complex with methylated DNA | 分子名称: | DNA (5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*GP*(5CM)P*GP*AP*TP*GP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*CP*AP*TP*(5CM)P*GP*CP*TP*CP*AP*GP*TP*GP*CP*T)-3'), PHOSPHATE ION, ... | 著者 | Hong, S, Horton, J.R, Cheng, X. | 登録日 | 2016-08-15 | 公開日 | 2017-03-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta. Nucleic Acids Res., 45, 2017
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6B0R
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6B77
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![BU of 6b77 by Molmil](/molmil-images/mine/6b77) | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | 著者 | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | 登録日 | 2017-10-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors. Blood Adv, 2, 2018
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6BFP
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![BU of 6bfp by Molmil](/molmil-images/mine/6bfp) | Bovine trypsin bound to potent inhibitor | 分子名称: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin | 著者 | Partridge, J.R, Choy, R.M. | 登録日 | 2017-10-26 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.292 Å) | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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6AYW
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![BU of 6ayw by Molmil](/molmil-images/mine/6ayw) | The structure of human CamKII with bound inhibitor | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide | 著者 | Somoza, J.R, Villasenor, A.G. | 登録日 | 2017-09-08 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The structure of human CamKII with bound inhibitor To Be Published
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6B74
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6BCM
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6B2N
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![BU of 6b2n by Molmil](/molmil-images/mine/6b2n) | |
6BKW
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![BU of 6bkw by Molmil](/molmil-images/mine/6bkw) | BTK complex with compound 12 | 分子名称: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-09 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BLW
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6CJO
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![BU of 6cjo by Molmil](/molmil-images/mine/6cjo) | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | 分子名称: | Chalcone--flavonone isomerase 1, SULFATE ION | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | 登録日 | 2018-02-26 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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6BLN
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![BU of 6bln by Molmil](/molmil-images/mine/6bln) | BTK complex with compound 13 | 分子名称: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-10 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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