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1PZO
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BU of 1pzo by Molmil
TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1PZP
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BU of 1pzp by Molmil
TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE, Beta-lactamase TEM
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1R0R
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BU of 1r0r by Molmil
1.1 Angstrom Resolution Structure of the Complex Between the Protein Inhibitor, OMTKY3, and the Serine Protease, Subtilisin Carlsberg
分子名称: CALCIUM ION, Ovomucoid, subtilisin carlsberg
著者Horn, J.R, Ramaswamy, S, Murphy, K.P.
登録日2003-09-22
公開日2003-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure and energetics of protein-protein interactions: the role of conformational heterogeneity in OMTKY3 binding to serine proteases
J.Mol.Biol., 331, 2003
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
著者Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
登録日2023-01-12
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
5L03
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BU of 5l03 by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION
著者Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-26
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate
To Be Published
5L12
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Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-28
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.716 Å)
主引用文献Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
4POU
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VHH-metal in Complex with RNase A
分子名称: Ribonuclease pancreatic, VHH Antibody
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-26
公開日2014-09-24
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4POY
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Engineered Dual Specific VHH antibody
分子名称: VHH-metal
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-26
公開日2014-09-24
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
4PPT
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BU of 4ppt by Molmil
Engineered Dual Specific VHH Antibody in Complex with a Nickel (II) Ion
分子名称: Engineered single domain VHH antibody, NICKEL (II) ION, SULFATE ION
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-27
公開日2014-09-03
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
3QXU
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BU of 3qxu by Molmil
Free Structure of an Anti-Methotrexate CDR1-3 Graft VHH Antibody
分子名称: Anti-Methotrexate CDR1-3 Graft, FORMIC ACID
著者Fanning, S.W, Horn, J.R.
登録日2011-03-02
公開日2011-07-06
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXT
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Structure of an Anti-Methotrexate CDR1-3 Graft VHH Antibody in Complex with Methotrexate
分子名称: Anti-Methotrexate CDR1-3 Graft VHH, METHOTREXATE, SODIUM ION
著者Fanning, S.W, Horn, J.R.
登録日2011-03-02
公開日2011-07-06
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QSK
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BU of 3qsk by Molmil
5 Histidine Variant of the anti-RNase A VHH in Complex with RNAse A
分子名称: Engineered 5 Histidine anti-RNase A Camelid VHH Antibody Domain Variant, Ribonuclease pancreatic
著者Murtaugh, M.L, Fanning, S.W, Sharma, T.M, Terry, A.M, Horn, J.R.
登録日2011-02-21
公開日2011-08-10
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A combinatorial histidine scanning library approach to engineer highly pH-dependent protein switches.
Protein Sci., 20, 2011
3QXW
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BU of 3qxw by Molmil
Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody
分子名称: Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION
著者Fanning, S.W, Horn, J.R.
登録日2011-03-02
公開日2011-07-27
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXV
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BU of 3qxv by Molmil
Structure of an Anti-Methotrexate CDR1-4 Graft VHH Antibody in Complex with Methotrexate
分子名称: Anti-Methotrexate CDR1-4 Graft VHH, METHOTREXATE, SULFATE ION
著者Fanning, S.W, Horn, J.R.
登録日2011-03-02
公開日2011-07-27
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
4ZDQ
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BU of 4zdq by Molmil
Crystal Structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) from Burkholderia thailandensis complexed with CTP
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ACETATE ION, CACODYLIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-04-18
公開日2015-04-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure and biophysical characterization of IspD from Burkholderia thailandensis and Mycobacterium paratuberculosis.
Acta Crystallogr.,Sect.F, 80, 2024
6MWK
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BU of 6mwk by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0883
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
6MWJ
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BU of 6mwj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0863
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
6MWI
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BU of 6mwi by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
6V3M
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BU of 6v3m by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840)
分子名称: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-11-26
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840)
to be published
6MWF
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Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0459
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, ACETATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-10-29
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
3MR1
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BU of 3mr1 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii
分子名称: CHLORIDE ION, MANGANESE (II) ION, Methionine aminopeptidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-04-28
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
3MX6
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BU of 3mx6 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii bound to methionine
分子名称: MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-05-06
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
3KE1
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Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 8, 2013
3Q8H
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Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
分子名称: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-06
公開日2011-01-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
5BK2
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Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody
分子名称: CHLORIDE ION, GLYCEROL, Maltose-binding periplasmic protein, ...
著者Mukherjee, S, Kossiakoff, A.A.
登録日2017-09-12
公開日2018-01-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineered synthetic antibodies as probes to quantify the energetic contributions of ligand binding to conformational changes in proteins.
J. Biol. Chem., 293, 2018

 

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