3G8O
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![BU of 3g8o by Molmil](/molmil-images/mine/3g8o) | Progesterone Receptor with bound Pyrrolidine 1 | 分子名称: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION | 著者 | Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L. | 登録日 | 2009-02-12 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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5FIU
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![BU of 5fiu by Molmil](/molmil-images/mine/5fiu) | Binding and structural studies of a 5,5-difluoromethyl adenosine nucleoside with the fluorinase enzyme | 分子名称: | 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5,5-DIFLUOROMETHYL ADENOSINE, L(+)-TARTARIC ACID | 著者 | Thompson, S, McMahon, S.A, Naismith, J.H, O'Hagan, D. | 登録日 | 2015-10-02 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Exploration of a Potential Difluoromethyl-Nucleoside Substrate with the Fluorinase Enzyme. Bioorg.Chem., 64, 2015
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4KTL
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![BU of 4ktl by Molmil](/molmil-images/mine/4ktl) | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-((4-hydroxyphenyl)amino)-1H-pyrazole-4,5-diyl)diphenol | 分子名称: | 4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Hudson, S.A. | 登録日 | 2013-05-20 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121. Chemmedchem, 8, 2013
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4KTJ
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3ISS
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![BU of 3iss by Molmil](/molmil-images/mine/3iss) | Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli | 分子名称: | PHOSPHITE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | 著者 | Jackson, S.G, Zhang, F, Chindemi, P, Junop, M.S, Berti, P.J. | 登録日 | 2009-08-27 | 公開日 | 2009-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions . Biochemistry, 48, 2009
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4R0V
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![BU of 4r0v by Molmil](/molmil-images/mine/4r0v) | [FeFe]-hydrogenase Oxygen Inactivation is Initiated by the Modification and Degradation of the H cluster 2Fe Subcluster | 分子名称: | ARSENIC, CHLORIDE ION, Fe-hydrogenase, ... | 著者 | Swanson, S.D, Ratzloff, M.W, Mulder, D.W, Artz, J.H, Ghose, S, Hoffman, A, White, S, Zadvornyy, O.A, Broderick, J.B, Bothner, B, King, P.W, Peters, J.W. | 登録日 | 2014-08-01 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | [FeFe]-Hydrogenase Oxygen Inactivation Is Initiated at the H Cluster 2Fe Subcluster. J.Am.Chem.Soc., 137, 2015
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4C5A
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![BU of 4c5a by Molmil](/molmil-images/mine/4c5a) | The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, D-ALANINE--D-ALANINE LIGASE, GLYCEROL, ... | 著者 | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | 登録日 | 2013-09-10 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine. Nat Commun, 8, 2017
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1LV5
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![BU of 1lv5 by Molmil](/molmil-images/mine/1lv5) | Crystal Structure of the Closed Conformation of Bacillus DNA Polymerase I Fragment Bound to DNA and dCTP | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*GP*TP*CP*GP*CP*TP*GP*AP*TP*CP*CP*G)-3', 5'-D(*GP*GP*AP*TP*CP*AP*GP*CP*GP*A)-3', ... | 著者 | Johnson, S.J, Taylor, J.S, Beese, L.S. | 登録日 | 2002-05-24 | 公開日 | 2003-03-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations Proc.Natl.Acad.Sci.USA, 100, 2003
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2JAA
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![BU of 2jaa by Molmil](/molmil-images/mine/2jaa) | SeMet substituted Shigella Flexneri Ipad | 分子名称: | INVASIN IPAD | 著者 | Johnson, S, Roversi, P, Espina, M, Olive, A, Deane, J.E, Birket, S, Field, T, Picking, W.D, Blocker, A.J, Galyov, E.E, Picking, W.L, Lea, S.M. | 登録日 | 2006-11-24 | 公開日 | 2006-11-30 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd. J.Biol.Chem., 282, 2007
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3Q6W
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![BU of 3q6w by Molmil](/molmil-images/mine/3q6w) | Structure of dually-phosphorylated MET receptor kinase in complex with an MK-2461 analog with specificity for the activated receptor | 分子名称: | 3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide, Hepatocyte growth factor receptor | 著者 | Soisson, S.M, Rickert, K.W, Patel, S.B, Lumb, K.J. | 登録日 | 2011-01-03 | 公開日 | 2011-01-19 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for selective small molecule kinase inhibition of activated c-Met. J.Biol.Chem., 286, 2011
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1L3S
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![BU of 1l3s by Molmil](/molmil-images/mine/1l3s) | Crystal Structure of Bacillus DNA Polymerase I Fragment complexed to 9 base pairs of duplex DNA. | 分子名称: | 5'-D(*GP*A*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*G)-3', DNA Polymerase I, ... | 著者 | Johnson, S.J, Taylor, J.S, Beese, L.S. | 登録日 | 2002-03-01 | 公開日 | 2003-03-25 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations Proc.Natl.Acad.Sci.USA, 100, 2003
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3GDX
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![BU of 3gdx by Molmil](/molmil-images/mine/3gdx) | Dna polymerase beta with a gapped DND substrate and dTMP(CF2)PP | 分子名称: | 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | 著者 | Wilson, S.H, Batra, V.K, Pedersen, L.C. | 登録日 | 2009-02-24 | 公開日 | 2009-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Alpha,beta-difluoromethylene deoxynucleoside 5'-triphosphates: a convenient synthesis of useful probes for DNA polymerase beta structure and function Org.Lett., 11, 2009
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4C5B
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![BU of 4c5b by Molmil](/molmil-images/mine/4c5b) | The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ATP and D-ala-D-ala | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ... | 著者 | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | 登録日 | 2013-09-10 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine. Nat Commun, 8, 2017
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1L3T
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![BU of 1l3t by Molmil](/molmil-images/mine/1l3t) | Crystal Structure of Bacillus DNA Polymerase I Fragment product complex with 10 base pairs of duplex DNA following addition of a single dTTP residue | 分子名称: | 5'-D(*GP*AP*CP*G*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3', DNA Polymerase I, ... | 著者 | Johnson, S.J, Taylor, J.S, Beese, L.S. | 登録日 | 2002-03-01 | 公開日 | 2003-03-25 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations Proc.Natl.Acad.Sci.USA, 100, 2003
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4C5C
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![BU of 4c5c by Molmil](/molmil-images/mine/4c5c) | The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-ALANINE--D-ALANINE LIGASE, ... | 著者 | Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I. | 登録日 | 2013-09-10 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine. Nat Commun, 8, 2017
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1L3V
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![BU of 1l3v by Molmil](/molmil-images/mine/1l3v) | Crystal Structure of Bacillus DNA Polymerase I Fragment product complex with 15 base pairs of duplex DNA following addition of dTTP, dATP, dCTP, and dGTP residues. | 分子名称: | 5'-D(*GP*AP*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*AP*CP*GP*TP*C)-3', DNA Polymerase I, ... | 著者 | Johnson, S.J, Taylor, J.S, Beese, L.S. | 登録日 | 2002-03-01 | 公開日 | 2003-03-25 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Processive DNA synthesis observed in a polymerase crystal suggests a
mechanism for the prevention of frameshift mutations Proc.Natl.Acad.Sci.USA, 100, 2003
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3HO2
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![BU of 3ho2 by Molmil](/molmil-images/mine/3ho2) | Structure of E.coli FabF(C163A) in complex with Platencin | 分子名称: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 著者 | Soisson, S.M, Parthasarathy, G. | 登録日 | 2009-06-01 | 公開日 | 2010-02-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis. Bioorg.Med.Chem.Lett., 19, 2009
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3Q7E
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4HHA
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![BU of 4hha by Molmil](/molmil-images/mine/4hha) | Anti-Human Cytomegalovirus (HCMV) Fab KE5 with epitope peptide AD-2S1 | 分子名称: | Antibody KE5, CHLORIDE ION, Fab KE5, ... | 著者 | Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Pfoh, R, Schrader, J.W, Pai, E.F. | 登録日 | 2012-10-09 | 公開日 | 2013-10-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation. J. Immunol., 196, 2016
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3I8P
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2J9T
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![BU of 2j9t by Molmil](/molmil-images/mine/2j9t) | BipD of Burkholderia Pseudomallei | 分子名称: | BORIC ACID, CITRATE ANION, MEMBRANE ANTIGEN | 著者 | Johnson, S, Roversi, P, Field, T, Deane, J.E, Galyov, E, Lea, S.M. | 登録日 | 2006-11-16 | 公開日 | 2006-11-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd. J.Biol.Chem., 282, 2007
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1YC6
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5TZV
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3HO9
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![BU of 3ho9 by Molmil](/molmil-images/mine/3ho9) | Structure of E.coli FabF(C163A) in complex with Platencin A1 | 分子名称: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 著者 | Soisson, S.M, Parthasarathy, G. | 登録日 | 2009-06-01 | 公開日 | 2010-02-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis. Bioorg.Med.Chem.Lett., 19, 2009
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3HNZ
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