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PDB: 424 results

4R67
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Human constitutive 20S proteasome in complex with carfilzomib
Descriptor: N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Sacchettini, J.C, Harshbarger, W.H.
Deposit date:2014-08-22
Release date:2015-02-11
Last modified:2015-02-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
2IFB
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CRYSTAL STRUCTURE OF RAT INTESTINAL FATTY-ACID-BINDING PROTEIN. REFINEMENT AND ANALYSIS OF THE ESCHERICHIA COLI-DRIVED PROTEIN WITH BOUND PALMITATE
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN, PALMITIC ACID
Authors:Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
Deposit date:1990-12-05
Release date:1992-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of rat intestinal fatty-acid-binding protein. Refinement and analysis of the Escherichia coli-derived protein with bound palmitate.
J.Mol.Biol., 208, 1989
4R3O
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Human Constitutive 20S Proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Sacchettini, J.C, Harshbarger, W.H.
Deposit date:2014-08-16
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
2HH7
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Crystal Structure of Cu(I) bound CsoR from Mycobacterium tuberculosis.
Descriptor: COPPER (I) ION, Hypothetical protein CsoR
Authors:Sacchettini, J.C, Ramesh, A.
Deposit date:2006-06-27
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CsoR is a novel Mycobacterium tuberculosis copper-sensing transcriptional regulator.
Nat.Chem.Biol., 3, 2007
4XT7
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimethoprim
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT6
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (THF)
Descriptor: (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT5
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-22
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT4
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Crystal structure of Rv2671 from Mycobacteirum tuberculosis in complex with dihydropteridine ring of dihydropteroic acid
Descriptor: 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-22
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT8
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
3F4B
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Crystal structure of Plasmodium berghei Enoyl-acyl-carrier-protein reductase with TRICLOSAN
Descriptor: Enoyl-acyl carrier protein reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Sacchettini, J.C, Tsai, H.-C.
Deposit date:2008-10-31
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The fatty acid biosynthesis enzyme FabI plays a key role in the development of liver-stage malarial parasites.
Cell Host Microbe, 4, 2008
1IFB
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BU of 1ifb by Molmil
REFINED APOPROTEIN STRUCTURE OF RAT INTESTINAL FATTY ACID BINDING PROTEIN PRODUCED IN ESCHERICHIA COLI
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
Deposit date:1990-12-05
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Refined apoprotein structure of rat intestinal fatty acid binding protein produced in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 86, 1989
1M1M
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BU of 1m1m by Molmil
X-RAY CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III (MTFABH)
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE III
Authors:Sacchettini, J.C, Sridharan, S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-06-19
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Probing the mechanism of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III mtFabH: factors influencing catalysis and substrate specificity.
J.Biol.Chem., 280, 2005
3OKR
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BU of 3okr by Molmil
Structure of Mtb apo 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, Heptamer peptide
Authors:Sacchettini, J.C, Reddy, M.C.M, Bruning, J.B, Thurman, C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-08-25
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): an antitubercular drug target
To be Published
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
4UBE
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BU of 4ube by Molmil
CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C.
Deposit date:2014-08-12
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
TO BE PUBLISHED
1MAS
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BU of 1mas by Molmil
PURINE NUCLEOSIDE HYDROLASE
Descriptor: INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION
Authors:Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C.
Deposit date:1995-12-18
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata.
Biochemistry, 35, 1996
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
Descriptor: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-05-30
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
Descriptor: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2018-06-07
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
2RHB
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BU of 2rhb by Molmil
Crystal structure of Nsp15-H234A mutant- Hexamer in asymmetric unit
Descriptor: Uridylate-specific endoribonuclease
Authors:Palaninathan, S, Bhardwaj, K, Alcantara, J.M.O, Guarino, L, Yi, L.L, Kao, C.C, Sacchettini, J.
Deposit date:2007-10-08
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional analyses of the severe acute respiratory syndrome coronavirus endoribonuclease Nsp15.
J.Biol.Chem., 283, 2008
3VFH
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BU of 3vfh by Molmil
BlaC E166A CDC-1 Acyl-Intermediate
Descriptor: (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
Descriptor: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3D2T
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BU of 3d2t by Molmil
Human transthyretin (ttr) complexed with diflunisal
Descriptor: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin
Authors:Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-08
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
J.Med.Chem., 47, 2004
4WCW
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BU of 4wcw by Molmil
Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS
Authors:Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.
Structure, 23, 2015
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
1MTO
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BU of 1mto by Molmil
Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase
Authors:Riley-Lovingshimer, M.R, Ronning, D.R, Sacchettini, J.C, Reinhart, G.D.
Deposit date:2002-09-21
Release date:2002-12-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reversible Ligand-Induced Dissociation of a Tryptophan-Shift Mutant of Phosphofructokinase from Bacillus stearothermophilus
Biochemistry, 41, 2002

222624

PDB entries from 2024-07-17

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