7WNA
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![BU of 7wna by Molmil](/molmil-images/mine/7wna) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | 分子名称: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-16 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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5EJU
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5EB7
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![BU of 5eb7 by Molmil](/molmil-images/mine/5eb7) | |
5EXU
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7O67
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![BU of 7o67 by Molmil](/molmil-images/mine/7o67) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7NS7
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1YJP
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![BU of 1yjp by Molmil](/molmil-images/mine/1yjp) | Structure of GNNQQNY from yeast prion Sup35 | 分子名称: | Eukaryotic peptide chain release factor GTP-binding subunit | 著者 | Nelson, R, Sawaya, M.R, Balbirnie, M, Madsen, A.O, Riekel, C, Grothe, R, Eisenberg, D. | 登録日 | 2005-01-15 | 公開日 | 2005-06-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of the cross-beta spine of amyloid-like fibrils. Nature, 435, 2005
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5AFS
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![BU of 5afs by Molmil](/molmil-images/mine/5afs) | structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus | 分子名称: | ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ... | 著者 | Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K. | 登録日 | 2015-01-23 | 公開日 | 2016-02-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2. Biochim. Biophys. Acta, 1864, 2016
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | 著者 | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | 登録日 | 2014-10-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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5GVY
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![BU of 5gvy by Molmil](/molmil-images/mine/5gvy) | Crystal structure of SALT protein from Oryza sativa | 分子名称: | Salt stress-induced protein, alpha-D-mannopyranose | 著者 | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | 登録日 | 2016-09-07 | 公開日 | 2017-09-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.662 Å) | 主引用文献 | Structural insights into rice SalTol QTL located SALT protein. Sci Rep, 10, 2020
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1EB2
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![BU of 1eb2 by Molmil](/molmil-images/mine/1eb2) | Trypsin inhibitor complex (BPO) | 分子名称: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ... | 著者 | Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L. | 登録日 | 2001-07-18 | 公開日 | 2002-02-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors J.Med.Chem., 45, 2002
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5Z9G
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![BU of 5z9g by Molmil](/molmil-images/mine/5z9g) | Crystal structure of KAI2 | 分子名称: | Probable esterase KAI2 | 著者 | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | 登録日 | 2018-02-03 | 公開日 | 2018-08-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
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1EB6
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![BU of 1eb6 by Molmil](/molmil-images/mine/1eb6) | Deuterolysin from Aspergillus oryzae | 分子名称: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | 著者 | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | 登録日 | 2001-07-19 | 公開日 | 2001-11-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn Acta Crystallogr.,Sect.D, 57, 2001
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2CMY
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![BU of 2cmy by Molmil](/molmil-images/mine/2cmy) | Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor | 分子名称: | CALCIUM ION, CATIONIC TRYPSIN, GLYCEROL, ... | 著者 | Conners, R, Yardley, J.L, Konarev, A, Shewry, P, Brady, R.L. | 登録日 | 2006-05-16 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.). J.Biol.Chem., 282, 2007
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7N4W
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7O66
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![BU of 7o66 by Molmil](/molmil-images/mine/7o66) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 60 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O65
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![BU of 7o65 by Molmil](/molmil-images/mine/7o65) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 90 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O64
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![BU of 7o64 by Molmil](/molmil-images/mine/7o64) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 1 minute. | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O6C
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![BU of 7o6c by Molmil](/molmil-images/mine/7o6c) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes under anaerobic environment | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7OJ6
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![BU of 7oj6 by Molmil](/molmil-images/mine/7oj6) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | 分子名称: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ... | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | 登録日 | 2021-05-14 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJP
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![BU of 7ojp by Molmil](/molmil-images/mine/7ojp) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | 分子名称: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | 登録日 | 2021-05-17 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7O63
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![BU of 7o63 by Molmil](/molmil-images/mine/7o63) | High resolution crystal structure of human mitochondrial ferritin (hMTF) | 分子名称: | CHLORIDE ION, Ferritin, mitochondrial, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O68
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![BU of 7o68 by Molmil](/molmil-images/mine/7o68) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 120 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site. | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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7O6A
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![BU of 7o6a by Molmil](/molmil-images/mine/7o6a) | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes under anaerobic environment | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | 登録日 | 2021-04-09 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry, 27, 2021
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