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PDB: 424 results

2G5U
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BU of 2g5u by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl
Descriptor: 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-02-23
Release date:2006-03-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G9K
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl
Descriptor: 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-03-06
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
5CAK
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BU of 5cak by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Descriptor: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
4ISB
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BU of 4isb by Molmil
Crystal Structure of Apo Mtb FadD10
Descriptor: Long chain fatty acid CoA ligase FadD10, SULFATE ION
Authors:Liu, Z, Wang, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-01-16
Release date:2013-05-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Mycobacterium tuberculosis FadD10 protein reveal a new type of adenylate-forming enzyme.
J.Biol.Chem., 288, 2013
2HMB
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BU of 2hmb by Molmil
THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN MUSCLE FATTY ACID-BINDING PROTEIN
Descriptor: MUSCLE FATTY ACID BINDING PROTEIN, PALMITIC ACID
Authors:Zanotti, G, Scapin, G, Spadon, P, Veerkamp, J.H, Sacchettini, J.C.
Deposit date:1992-09-11
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of recombinant human muscle fatty acid-binding protein.
J.Biol.Chem., 267, 1992
6CZ6
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BU of 6cz6 by Molmil
Mycobacterium tuberculosis transcriptional regulator
Descriptor: COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER
Authors:Tang, S, Sacchettini, J.
Deposit date:2018-04-08
Release date:2019-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
2MAS
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BU of 2mas by Molmil
PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR
Descriptor: 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE
Authors:Degano, M, Schramm, V.L, Sacchettini, J.C.
Deposit date:1996-10-17
Release date:1997-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
4IR7
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BU of 4ir7 by Molmil
Crystal Structure of Mtb FadD10 in Complex with Dodecanoyl-AMP
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Long chain fatty acid CoA ligase FadD10, MAGNESIUM ION
Authors:Liu, Z, Wang, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-01-14
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Mycobacterium tuberculosis FadD10 protein reveal a new type of adenylate-forming enzyme.
J.Biol.Chem., 288, 2013
1SBD
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BU of 1sbd by Molmil
SOYBEAN AGGLUTININ COMPLEXED WITH 2,4-PENTASACCHARIDE
Descriptor: CALCIUM ION, MANGANESE (II) ION, SOYBEAN AGGLUTININ, ...
Authors:Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C.
Deposit date:1995-07-13
Release date:1998-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
1SBE
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BU of 1sbe by Molmil
SOYBEAN AGGLUTININ FROM GLYCINE MAX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Sacchettini, J.C, Brewer, C.F.
Deposit date:1995-07-13
Release date:1998-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
1SBF
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BU of 1sbf by Molmil
SOYBEAN AGGLUTININ
Descriptor: CALCIUM ION, MANGANESE (II) ION, SOYBEAN AGGLUTININ, ...
Authors:Olsen, L.R, Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C.
Deposit date:1997-10-21
Release date:1998-04-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
3N59
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BU of 3n59 by Molmil
Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate
Descriptor: (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
Authors:Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-05-24
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
2GAB
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BU of 2gab by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl
Descriptor: 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-03-08
Release date:2006-03-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
4KBJ
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BU of 4kbj by Molmil
Structure of Mtb RNAP Beta subunit B1 and B2 domains
Descriptor: DNA-directed RNA polymerase subunit beta
Authors:Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-04-23
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4532 Å)
Cite:Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
4JAR
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BU of 4jar by Molmil
Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize ALKYLPYRONES
Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11
Authors:Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2013-02-19
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones.
J.Biol.Chem., 288, 2013
1EIO
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BU of 1eio by Molmil
ILEAL LIPID BINDING PROTEIN IN COMPLEX WITH GLYCOCHOLATE
Descriptor: GLYCOCHOLIC ACID, ILEAL LIPID BINDING PROTEIN
Authors:Luecke, C, Zhang, F, Hamilton, J.A, Sacchettini, J.C, Rueterjans, H.
Deposit date:2000-02-27
Release date:2000-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of ileal lipid binding protein in complex with glycocholate.
Eur.J.Biochem., 267, 2000
4KBM
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BU of 4kbm by Molmil
Structure of the Mtb CarD/RNAP Beta subunit B1-B2 domains complex
Descriptor: DNA-directed RNA polymerase subunit beta, RNA polymerase-binding transcription factor CarD
Authors:Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-04-23
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1146 Å)
Cite:Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
3N8K
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BU of 3n8k by Molmil
Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid
Descriptor: 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
Authors:Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-05-28
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
2H9I
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Mycobacterium tuberculosis InhA bound with ETH-NAD adduct
Descriptor: 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
Authors:Wang, F, Sacchettini, J.C.
Deposit date:2006-06-09
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
1AIV
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BU of 1aiv by Molmil
APO OVOTRANSFERRIN
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN
Authors:Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M.
Deposit date:1997-04-28
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron
J.Biol.Chem., 274, 1999
2FBR
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BU of 2fbr by Molmil
Human transthyretin (TTR) complexed with bivalant amyloid inhibitor (4 carbon linker)
Descriptor: 4'-(4-{4-[(2-CARBOXYPHENYL)AMINO]PHENOXY}BUTOXY)-1,1'-BIPHENYL-4-CARBOXYLIC ACID, Transthyretin
Authors:Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C.
Deposit date:2005-12-09
Release date:2005-12-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Synthesis and characterization of potent bivalent amyloidosis inhibitors that bind prior to transthyretin tetramerization.
J.Am.Chem.Soc., 125, 2003
4M2X
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BU of 4m2x by Molmil
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ)
Descriptor: ACETATE ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Jung, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-08-05
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Selective inhibitors for dihydrofolate reductase from mycobacterium tuberculosis
To be Published
2H1P
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BU of 2h1p by Molmil
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
Descriptor: 2H1, PA1
Authors:Young, A.C.M, Valadon, P, Casadevall, A, Scharff, M.D, Sacchettini, J.C.
Deposit date:1997-11-12
Release date:1998-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
1UBV
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BU of 1ubv by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBW
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BU of 1ubw by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE, GERANYL DIPHOSPHATE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996

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