2IFB
 
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2HH7
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4R67
 | | 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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
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4R3O
 | | 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
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4XT8
 | | 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
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4XT7
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4XT6
 | | 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
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4XT5
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4XT4
 | | 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
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3OKR
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1IFB
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3F4B
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1M1M
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4WCW
 | | 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
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8W1T
 | | SARS-CoV-2 Main protease bound to a non-covalent non-peptidic HTS hit | | Descriptor: | (5-bromopyridin-3-yl){4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone, (5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone, 1,2-ETHANEDIOL, ... | | Authors: | Bian, X, Tang, S, Sacchettini, J.C. | | Deposit date: | 2024-02-18 | | Release date: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An oral non-covalent non-peptidic inhibitor of SARS-CoV-2 Mpro ameliorates viral replication and pathogenesis in vivo.
Cell Rep, 43, 2024
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6W32
 | | Crystal structure of Sfh5 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5 | | Authors: | Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A. | | Deposit date: | 2020-03-08 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
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5H8P
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5H8M
 | | Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | | Deposit date: | 2015-12-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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2MAS
 | | 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
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7RB1
 | | Isocitrate Lyase-1 from Mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-D-isocitric acid | | Descriptor: | (3E)-3-(hydroxyimino)propanoic acid, GLYCEROL, GLYOXYLIC ACID, ... | | Authors: | Krieger, I.V, Mellott, D, Meek, T, Sacchettini, J.C. | | Deposit date: | 2021-07-05 | | Release date: | 2021-12-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2 R ,3 S )-2-Hydroxy-3-(nitromethyl)succinic acid.
J.Am.Chem.Soc., 143, 2021
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1EAL
 | | NMR STUDY OF ILEAL LIPID BINDING PROTEIN | | Descriptor: | ILEAL LIPID BINDING PROTEIN | | Authors: | Luecke, C, Zhang, F, Rueterjans, H, Hamilton, J.A, Sacchettini, J.C. | | Deposit date: | 1996-08-28 | | Release date: | 1997-01-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Flexibility is a likely determinant of binding specificity in the case of ileal lipid binding protein.
Structure, 4, 1996
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8GKF
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5V93
 | | Cryo-EM structure of the 70S ribosome from Mycobacterium tuberculosis bound with Capreomycin | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Yang, K, Chang, J.-Y, Cui, Z, Li, X, Meng, R, Duan, L, Thongchol, J, Jakana, J, Huwe, C, Sacchettini, J, Zhang, J. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-20 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
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6PRW
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4UBE
 | | 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
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