3T92
 
 | | Crystal structure of the Taz2:C/EBPepsilon-TAD chimera protein | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ACETONE, HISTONE ACETYLTRANSFERASE P300 TAZ2-CCAAT/ENHANCER-BINDING PROTEIN EPSILON, ... | | Authors: | Bhaumik, P, Maria, M. | | Deposit date: | 2011-08-02 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into interactions of C/EBP transcriptional activators with the Taz2 domain of p300.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
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2GD0
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | (S)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-15 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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1TJ7
 | | Structure determination and refinement at 2.44 A resolution of Argininosuccinate lyase from E. coli | | Descriptor: | Argininosuccinate lyase, GLYCEROL, PHOSPHATE ION | | Authors: | Bhaumik, P, Koski, M.K, Bergman, U, Wierenga, R.K. | | Deposit date: | 2004-06-03 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structure determination and refinement at 2.44 A resolution of argininosuccinate lyase from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
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3FNU
 | | Crystal structure of KNI-10006 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, HAP protein | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2008-12-26 | | Release date: | 2009-05-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of the histo-aspartic protease (HAP) from Plasmodium falciparum.
J.Mol.Biol., 388, 2009
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3FNS
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3FNT
 | | Crystal structure of pepstatin A bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, HAP protein, Inhibitor, ... | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2008-12-26 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structures of the histo-aspartic protease (HAP) from plasmodium falciparum.
J.Mol.Biol., 388, 2009
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3QS1
 | | Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Plasmepsin-1 | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2011-02-19 | | Release date: | 2011-05-11 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
J.Struct.Biol., 175, 2011
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3QRV
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3QVC
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3QVI
 | | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2011-02-25 | | Release date: | 2011-10-12 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
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2GD6
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-15 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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2GCE
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | (R)-IBUPROFENOYL-COENZYME A, (S)-IBUPROFENOYL-COENZYME A, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-14 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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2GCI
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an asparte/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | (R)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-14 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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2GD2
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | ACETOACETYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-15 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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3RFI
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8GOG
 | | Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III)) | | Descriptor: | CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ... | | Authors: | Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P. | | Deposit date: | 2022-08-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Artificial metalloenzyme catalyzed enantiodivergent synthesis of isoindolones
NAT SYNTH
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2YIM
 | | The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue | | Descriptor: | 2-METHYLACETOACETYL COA, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Sharma, S, Bhaumik, P, Venkatesan, R, Hiltunen, J.K, Conzelmann, E, Juffer, A.H, Wierenga, R.K. | | Deposit date: | 2011-05-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 A Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed Qm/Mm Calculations.
J Phys Chem B, 116, 2012
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1X74
 | | Alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis- mutational and structural characterization of the fold and active site | | Descriptor: | 2-methylacyl-CoA racemase, GLYCEROL, PHOSPHATE ION | | Authors: | Kalle, S, Bhaumik, P, Schmitz, W, Kotti, T.J, Conzelmann, E, Wierenga, R.K, Hiltunen, J.K. | | Deposit date: | 2004-08-13 | | Release date: | 2005-01-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | {alpha}-Methylacyl-CoA Racemase from Mycobacterium tuberculosis: MUTATIONAL AND STRUCTURAL CHARACTERIZATION OF THE ACTIVE SITE AND THE FOLD
J.Biol.Chem., 280, 2005
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7ECS
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Malonate and NADPH | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, MALONATE ION, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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7ECR
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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7ECT
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Tartrate and NADPH | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, L(+)-TARTARIC ACID, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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7VE2
 | | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2021-09-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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7VE0
 | | Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2021-09-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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5DVI
 | | High resolution crystal Structure of glucose complexed periplasmic glucose binding protein (ppGBP) from P. putida CSV86 | | Descriptor: | Binding protein component of ABC sugar transporter, GLYCEROL, SULFATE ION, ... | | Authors: | Pandey, S, Modak, A, Phale, P.S, Bhaumik, P. | | Deposit date: | 2015-09-21 | | Release date: | 2016-02-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High Resolution Structures of Periplasmic Glucose-binding Protein of Pseudomonas putida CSV86 Reveal Structural Basis of Its Substrate Specificity
J.Biol.Chem., 291, 2016
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5DVF
 | | Crystal structure of unliganded periplasmic glucose binding protein (ppGBP) from P. putida CSV86 | | Descriptor: | Binding protein component of ABC sugar transporter, SULFATE ION | | Authors: | Pandey, S, Modak, A, Phale, P.S, Bhaumik, P. | | Deposit date: | 2015-09-21 | | Release date: | 2016-02-17 | | Last modified: | 2016-04-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Resolution Structures of Periplasmic Glucose-binding Protein of Pseudomonas putida CSV86 Reveal Structural Basis of Its Substrate Specificity
J.Biol.Chem., 291, 2016
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