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PDB: 369 件

3GLZ
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Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
2FOI
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
分子名称: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
登録日2006-01-13
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
3HDF
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Crystal structure of truncated endolysin R21 from phage 21
分子名称: GLYCEROL, Lysozyme, NITRATE ION
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
2ZJ1
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Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin
分子名称: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
3HDE
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Crystal structure of full-length endolysin R21 from phage 21
分子名称: Lysozyme
著者Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
2ZJ0
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Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
分子名称: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
6PK2
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CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta
著者Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6).
To Be Published
6P7U
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BU of 6p7u by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, Probable propionyl-CoA carboxylase beta chain 6
著者Reddy, M.C.M, Sacchettini, J.C, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-06-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Inhibition of Mycobacterium tuberculosis acetyl-CoA carboxyltransferase(AccD6)d omain of acetyl-coenzyme A carboxylase by quizalofop-p
To Be Published
6PRW
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CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
著者Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-07-11
公開日2020-07-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
3I59
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BU of 3i59 by Molmil
Crystal structure of MtbCRP in complex with N6-cAMP
分子名称: (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ...
著者Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2009-07-03
公開日2009-09-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
2Z9I
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Crystal structure of RV0983 from Mycobacterium tuberculosis- Proteolytically active form
分子名称: GATV, PROBABLE SERINE PROTEASE PEPD, SVEQV
著者Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C.
登録日2007-09-20
公開日2008-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of the virulence-associated high-temperature requirement A of Mycobacterium tuberculosis
Biochemistry, 47, 2008
3I54
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BU of 3i54 by Molmil
Crystal structure of MtbCRP in complex with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Transcriptional regulator, Crp/Fnr family
著者Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2009-07-03
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
3HEM
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BU of 3hem by Molmil
Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
分子名称: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase 2, N-octyloctan-1-amine
著者Liu, Z, Sacchettini, J.C.
登録日2009-05-09
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
TO BE PUBLISHED
3GS7
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BU of 3gs7 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13)
分子名称: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3BZQ
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BU of 3bzq by Molmil
High resolution crystal structure of Nitrogen Regulatory Protein (Rv2919c) of Mycobacterium tuberculosis
分子名称: Nitrogen regulatory protein P-II
著者Reddy, M.C, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2008-01-18
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of the apo and ATP bound Mycobacterium tuberculosis nitrogen regulatory PII protein.
Protein Sci., 19, 2010
3BV0
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BU of 3bv0 by Molmil
Crystal Structure of PLP Bound 7,8-Diaminopelargonic Acid Synthase in Mycobacterium Tuberculosis
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Dey, S, Sacchettini, J.C.
登録日2008-01-04
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Biochemistry, 49, 2010
2ZIZ
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BU of 2ziz by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine
分子名称: 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
3C90
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The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II
分子名称: Phosphoribosyl-ATP pyrophosphatase
著者Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2008-02-14
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
6UNC
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BU of 6unc by Molmil
The crystal structure of Phosphopantetheinyl Hydrolase (PptH) from Mycobacterium tuberculosis
分子名称: FE (III) ION, MANGANESE (II) ION, Metallophos domain-containing protein
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-10-11
公開日2020-04-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Protein Sci., 29, 2020
6W32
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BU of 6w32 by Molmil
Crystal structure of Sfh5
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
著者Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
登録日2020-03-08
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
3HC7
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Crystal structure of lysin B from Mycobacteriophage D29
分子名称: Gene 12 protein
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-05
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacteriophage Lysin B is a novel mycolylarabinogalactan esterase
Mol.Microbiol., 73, 2009
1BYA
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BU of 1bya by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
分子名称: BETA-AMYLASE, SULFATE ION
著者Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
登録日1994-01-25
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
5CAH
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BU of 5cah by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6H-thieno[2,3-b]pyrrole-5-carboxylic acid
分子名称: 6H-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-29
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5C7V
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-pyrrole-2-carboxylic acid
分子名称: MAGNESIUM ION, Malate synthase G, PYRROLE-2-CARBOXYLATE
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-06-25
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CC5
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-3-carboxylic acid
分子名称: 1H-INDOLE-3-CARBOXYLIC ACID, GLYOXYLIC ACID, MAGNESIUM ION, ...
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-07-01
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published

224004

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