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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
2ZIZ
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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
3BV0
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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
3BZQ
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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
1HMT
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1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
分子名称: MUSCLE FATTY ACID BINDING PROTEIN, STEARIC ACID
著者Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
登録日1994-01-02
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
1HMR
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1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
分子名称: 9-OCTADECENOIC ACID, MUSCLE FATTY ACID BINDING PROTEIN
著者Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
登録日1994-01-02
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
1HMS
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BU of 1hms by Molmil
1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
分子名称: MUSCLE FATTY ACID BINDING PROTEIN, OLEIC ACID
著者Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
登録日1994-01-02
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
2H1P
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THE THREE-DIMENSIONAL STRUCTURES OF A POLYSACCHARIDE BINDING ANTIBODY TO CRYPTOCOCCUS NEOFORMANS AND ITS COMPLEX WITH A PEPTIDE FROM A PHAGE DISPLAY LIBRARY: IMPLICATIONS FOR THE IDENTIFICATION OF PEPTIDE MIMOTOPES
分子名称: 2H1, PA1
著者Young, A.C.M, Valadon, P, Casadevall, A, Scharff, M.D, Sacchettini, J.C.
登録日1997-11-12
公開日1998-01-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The three-dimensional structures of a polysaccharide binding antibody to Cryptococcus neoformans and its complex with a peptide from a phage display library: implications for the identification of peptide mimotopes.
J.Mol.Biol., 274, 1997
8TQG
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BU of 8tqg by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
分子名称: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
2H9I
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Mycobacterium tuberculosis InhA bound with ETH-NAD adduct
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Wang, F, Sacchettini, J.C.
登録日2006-06-09
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2HMB
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THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN MUSCLE FATTY ACID-BINDING PROTEIN
分子名称: MUSCLE FATTY ACID BINDING PROTEIN, PALMITIC ACID
著者Zanotti, G, Scapin, G, Spadon, P, Veerkamp, J.H, Sacchettini, J.C.
登録日1992-09-11
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three-dimensional structure of recombinant human muscle fatty acid-binding protein.
J.Biol.Chem., 267, 1992
1KBA
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BU of 1kba by Molmil
CRYSTAL STRUCTURE OF KAPPA-BUNGAROTOXIN AT 2.3-ANGSTROM RESOLUTION
分子名称: KAPPA-BUNGAROTOXIN
著者Dewan, J.C, Grant, G.A, Sacchettini, J.C.
登録日1994-07-13
公開日1994-12-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of kappa-bungarotoxin at 2.3-A resolution.
Biochemistry, 33, 1994
1ZXL
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BU of 1zxl by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-08
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZSN
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-05-24
公開日2006-05-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.992 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZW1
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BU of 1zw1 by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-03
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZXB
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BU of 1zxb by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-07
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZID
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LONG FATTY ACID CHAIN ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH AN ISONICOTINIC-ACYL-NADH INHIBITOR
分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Rozwarski, D.A, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1997-03-25
公開日1998-03-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Modification of the NADH of the isoniazid target (InhA) from Mycobacterium tuberculosis.
Science, 279, 1998
1YGY
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Crystal Structure of D-3-Phosphoglycerate dehydrogenase From Mycobacterium tuberculosis
分子名称: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID
著者Dey, S, Grant, G.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2005-01-05
公開日2005-01-25
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis D-3-Phosphoglycerate Dehydrogenase: EXTREME ASYMMETRY IN A TETRAMER OF IDENTICAL SUBUNITS
J.Biol.Chem., 280, 2005
3GS4
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Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15)
分子名称: 3-[(9H-fluoren-9-ylideneamino)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 (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GS0
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Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16)
分子名称: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic 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 (1.85 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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
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
3HEM
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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
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
3I54
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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

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