2ZFZ
 
 | | Crystal structure of the C-terminal domain hexamer of ArgR from Mycobacterium tuberculosis in complex with arginine | | Descriptor: | ARGININE, Arginine repressor, GUANIDINE | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-01-16 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
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2Z76
 | | X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 1.82 Angstrom resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-08-16 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase.
Biochim.Biophys.Acta, 1784, 2008
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3AAY
 | | Crystal structure of probable thiosulfate sulfurtransferase CYSA3 (RV3117) from Mycobacterium tuberculosis: orthorhombic form | | Descriptor: | GLYCEROL, Putative thiosulfate sulfurtransferase, SULFATE ION | | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2009-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
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3AAX
 | | Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM | | Descriptor: | Putative thiosulfate sulfurtransferase | | Authors: | Sankaranarayanan, R, Witholt, S.J, Cherney, M.M, Garen, C.R, Cherney, L.T, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2009-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis
To be Published
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1YUY
 | | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE GENOTYPE 2a | | Descriptor: | RNA-Dependent RNA polymerase, SULFATE ION | | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | | Deposit date: | 2005-02-14 | | Release date: | 2005-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
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1YVX
 | | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | | Descriptor: | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
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1YV2
 | | Hepatitis C virus NS5B RNA-dependent RNA Polymerase genotype 2a | | Descriptor: | GLYCEROL, RNA dependent RNA polymerase, SULFATE ION | | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | | Deposit date: | 2005-02-14 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of the RNA-dependent RNA Polymerase Genotype 2a of Hepatitis C Virus Reveal Two Conformations and Suggest Mechanisms of Inhibition by Non-nucleoside Inhibitors
J.Biol.Chem., 280, 2005
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1YVZ
 | | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | | Descriptor: | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
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2A4O
 | | Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct | | Descriptor: | ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ... | | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | | Deposit date: | 2005-06-29 | | Release date: | 2005-12-27 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site
J.MOL.BIOL., 354, 2005
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3EI9
 | | Crystal structure of K270N variant of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with L-Glu: External aldimine form | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, GLYCEROL, LL-diaminopimelate aminotransferase, ... | | Authors: | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
J.Mol.Biol., 384, 2008
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3EI8
 | | Crystal structure of K270N variant of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with LL-DAP: External aldimine form | | Descriptor: | (2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid, GLYCEROL, LL-diaminopimelate aminotransferase, ... | | Authors: | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
J.Mol.Biol., 384, 2008
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3EI5
 | | Crystal structure of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with PLP-Glu: an external aldimine mimic | | Descriptor: | GLYCEROL, LL-diaminopimelate aminotransferase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, ... | | Authors: | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
J.Mol.Biol., 384, 2008
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3EIA
 | | Crystal structure of K270Q variant of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with L-Glu: External aldimine form | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, LL-diaminopimelate aminotransferase, SULFATE ION | | Authors: | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
J.Mol.Biol., 384, 2008
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2SGP
 | | PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | | Descriptor: | OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2001-01-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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3EI7
 | | Crystal structure of apo-LL-diaminopimelate aminotransferase from Arabidopsis thaliana (no PLP) | | Descriptor: | LL-diaminopimelate aminotransferase, SULFATE ION | | Authors: | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana.
J.Mol.Biol., 384, 2008
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3CAG
 | | Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines. | | Descriptor: | ARGININE, Arginine repressor | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-02-19 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
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2SGF
 | | PHE 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
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2SGD
 | | ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
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2SNI
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2WEB
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT | | Descriptor: | METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ... | | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | | Deposit date: | 1998-02-03 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
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2WEA
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT | | Descriptor: | METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ... | | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | | Deposit date: | 1998-02-03 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
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2WED
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE MACROCYCLIC INHIBITOR:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT | | Descriptor: | METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ... | | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | | Deposit date: | 1998-02-03 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
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2WEC
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-(1-NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXY PHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT | | Descriptor: | METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ... | | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | | Deposit date: | 1998-02-03 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
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1PPL
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3EJX
 | | Crystal structure of diaminopimelate epimerase from Arabidopsis thaliana in complex with LL-AziDAP | | Descriptor: | (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID, Diaminopimelate epimerase, chloroplastic | | Authors: | Pillai, B, Moorthie, V.A, Cherney, M.M, Vederas, J.C, James, M.N.G. | | Deposit date: | 2008-09-18 | | Release date: | 2009-02-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of diaminopimelate epimerase from Arabidopsis thaliana, an amino acid racemase critical for L-lysine biosynthesis.
J.Mol.Biol., 385, 2009
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