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2K9S
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BU of 2k9s by Molmil
Solution structure of dna binding domain of E. coli arac
分子名称: Arabinose operon regulatory protein
著者Rodgers, M.E, Schleif, R.F.
登録日2008-10-23
公開日2008-11-25
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA binding domain of AraC protein.
Proteins, 77, 2009
2PTR
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BU of 2ptr by Molmil
Crystal structure of Escherichia coli adenylosuccinate lyase mutant H171A with bound adenylosuccinate substrate
分子名称: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, Adenylosuccinate lyase
著者Tsai, M, Howell, P.L.
登録日2007-05-08
公開日2007-07-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate and Product Complexes of Escherichia coli Adenylosuccinate Lyase Provide New Insights into the Enzymatic Mechanism.
J.Mol.Biol., 370, 2007
2PTS
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BU of 2pts by Molmil
Crystal structure of wild type Escherichia coli adenylosuccinate lyase
分子名称: Adenylosuccinate lyase
著者Tsai, M, Howell, P.L.
登録日2007-05-08
公開日2007-07-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate and Product Complexes of Escherichia coli Adenylosuccinate Lyase Provide New Insights into the Enzymatic Mechanism.
J.Mol.Biol., 370, 2007
2PTQ
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BU of 2ptq by Molmil
Crystal structure of Escherichia coli adenylosuccinate lyase mutant H171N with bound AMP and fumarate
分子名称: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, FUMARIC ACID
著者Tsai, M, Howell, P.L.
登録日2007-05-08
公開日2007-07-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate and Product Complexes of Escherichia coli Adenylosuccinate Lyase Provide New Insights into the Enzymatic Mechanism.
J.Mol.Biol., 370, 2007
4R1A
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BU of 4r1a by Molmil
Crystal Structure of FVO strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
4RIO
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BU of 4rio by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
分子名称: 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2014-10-07
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PCA
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BU of 4pca by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
著者Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-04-14
公開日2014-06-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
4PCL
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BU of 4pcl by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion.
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
著者Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-04-15
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
4R1B
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BU of 4r1b by Molmil
Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1, AMA1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
4PLB
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BU of 4plb by Molmil
Crystal Structure of S.A. gyrase-AM8191 complex
分子名称: 6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Chimera protein of DNA gyrase subunits B and A, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Lu, J, Patel, S, Soisson, S.
登録日2014-05-16
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.
Acs Med.Chem.Lett., 5, 2014
4R1C
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BU of 4r1c by Molmil
Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1, AMA1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
4R19
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BU of 4r19 by Molmil
Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1, AMA1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
2RL5
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BU of 2rl5 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor
分子名称: N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Zhao, H.
登録日2007-10-18
公開日2008-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.
J.Med.Chem., 51, 2008
4Z0F
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BU of 4z0f by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038(6CW)] peptide
分子名称: Apical membrane antigen 1, Rhoptry neck protein 2
著者Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
登録日2015-03-26
公開日2016-08-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4Z09
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BU of 4z09 by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] peptide
分子名称: Apical membrane antigen 1, GLYCEROL, Rhoptry neck protein 2
著者Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
登録日2015-03-26
公開日2016-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
4Z8D
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BU of 4z8d by Molmil
Antibacterial FabH Inhibitors with Validated Mode of Action in Haemophilus Influenzae by in vitro resistance mutation mapping
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION, trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
著者Lahiri, S.D.
登録日2015-04-08
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BNR
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BU of 5bnr by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5A33
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BU of 5a33 by Molmil
Electron cryo-microscopy of Cowpea Mosaic Virus (CPMV) empty virus like particle (eVLP)
分子名称: RNA2 POLYPROTEIN
著者Hesketh, E.L, Meshcheriakova, Y, Dent, K.C, Saxena, P, Thompson, R, Cockburn, J.J, Lomonossoff, G.P, Ranson, N.A.
登録日2015-05-27
公開日2015-12-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
4Z0D
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BU of 4z0d by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038Trp] peptide
分子名称: Apical membrane antigen 1, Rhoptry neck protein 2
著者Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
登録日2015-03-26
公開日2016-08-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
5A32
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BU of 5a32 by Molmil
Electron cryo-microscopy of Cowpea Mosaic Virus containing RNA-1 (CPMVb)
分子名称: RNA2 POLYPROTEIN
著者Hesketh, E.L, Meshcheriakova, Y, Dent, K.C, Saxena, P, Thompson, R, Cockburn, J.J, Lomonossoff, G.P, Ranson, N.A.
登録日2015-05-27
公開日2015-12-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Mechanisms of assembly and genome packaging in an RNA virus revealed by high-resolution cryo-EM.
Nat Commun, 6, 2015
5C42
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BU of 5c42 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ...
著者Frey, K.M, Gray, W.T, Anderson, K.S.
登録日2015-06-17
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance.
Acs Med.Chem.Lett., 6, 2015
5BS3
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BU of 5bs3 by Molmil
Crystal Structure of S.A. gyrase in complex with Compound 7
分子名称: (4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one, DNA gyrase subunit A and B, DNA/RNA (5'-R(P*AP*GP*CP*CP*G)-D(P*T)-R(P*AP*GP*GP*GP*CP*CP*C)-D(P*T)-R(P*AP*CP*GP*GP*C)-D(P*T)-3'), ...
著者Lu, J, Patel, S, Soisson, S.
登録日2015-06-01
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2).
Bioorg.Med.Chem.Lett., 25, 2015
5BNS
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BU of 5bns by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BNM
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BU of 5bnm by Molmil
E. coli FabH with Small Molecule Inhibitor 1
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, SULFATE ION, ...
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BQS
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S. Pneumoniae Fabh with small molecule inhibitor 4
分子名称: 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3, SODIUM ION
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-29
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016

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