5IQW
 
 | | 1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, CADMIUM ION, Heme acquisition protein HasAp | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2016-03-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
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5IQX
 | | 1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa | | Descriptor: | D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2016-03-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
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6I75
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 2 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.171 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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6I76
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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6I74
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.959 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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6I78
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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6I77
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.219 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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7EVA
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4JER
 | | 1.1A resolution Apo structure of the hemophore HasA from Yersinia pestis (Tetragonal Form) | | Descriptor: | Hemophore HasA, SODIUM ION | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | | Deposit date: | 2013-02-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
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4JET
 | | 2.2A resolution structure of Holo hemophore HasA from Yersinia pestis | | Descriptor: | CHLORIDE ION, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | | Deposit date: | 2013-02-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
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4JES
 | | 1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form) | | Descriptor: | HEXAETHYLENE GLYCOL, Hemophore HasA, MALONATE ION, ... | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | | Deposit date: | 2013-02-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
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2DVC
 | | Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Prem Kumar, R, Bhardwaj, R, Ethayathulla, A.S, Sinha, M, Singh, N, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-07-31 | | Release date: | 2006-08-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution
To be Published
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8B9Q
 | | Molecular structure of Cu(II)-bound amyloid-beta monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease | | Descriptor: | Amyloid-beta A4 protein, COPPER (II) ION | | Authors: | Abelein, A, Ciofi-Baffoni, S, Kumar, R, Giachetti, A, Piccioli, M, Biverstal, H. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Molecular Structure of Cu(II)-Bound Amyloid-beta Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease.
Jacs Au, 2, 2022
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2DWA
 | | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Prem Kumar, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution
To be Published
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2DWI
 | | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Prem Kumar, R, Mir, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-13 | | Release date: | 2006-09-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution
To be Published
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3KJZ
 | | Crystal structure of native peptidyl-tRNA hydrolase from Mycobacterium smegmatis | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Kumar, A, Singh, N, Yadav, R, Prem Kumar, R, Sharma, S, Arora, A, Singh, T.P. | | Deposit date: | 2009-11-04 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from mycobacterium smegmatis reveals novel features related to enzyme dynamics.
Int J Biochem Mol Biol, 3, 2012
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1SV9
 | | Crystal structure of the complex formed between groupII phospholipase A2 and anti-inflammatory agent 2-[(2,6-Dichlorophenyl)amino] benzeneacetic acid at 2.7A resolution | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Phospholipase A2 | | Authors: | Senthil kumar, R, Singh, N, Ethayathulla, A.S, Prem kumar, R, Sharma, S, Singh, T.P. | | Deposit date: | 2004-03-29 | | Release date: | 2004-04-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the complex formed between group II phospholipase A2 and anti-inflammatory agent 2-[(2,6-Dichlorophenyl)amino] benzeneacetic acid at 2.7A resolution
To be Published
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3NJU
 | | Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution | | Descriptor: | 4-METHOXYBENZOIC ACID, CALCIUM ION, Phospholipase A2 isoform 3 | | Authors: | Kaushik, S, Prem Kumar, R, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-06-18 | | Release date: | 2010-07-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution
To be Published
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4M2P
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2DP5
 | | Structure of streptococcus pyogenes bacteriophage-associated hyaluronate lyase Hylp2 | | Descriptor: | Hyaluronidase | | Authors: | Mishra, P, Bhakuni, V, Prem Kumar, R, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-05-06 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Structure of streptococcus pyogenes bacteriophage-associated hyaluronate lyase Hylp2
To be Published
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1SQY
 | | Structure of human diferric lactoferrin at 2.5A resolution using crystals grown at pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Vikram, P, Prem Kumar, R, Singh, N, Kumar, J, Ethayathulla, A.S, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2004-03-22 | | Release date: | 2004-04-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of human diferric lactoferrin at 2.5A resolution using crystals grown at pH 6.5.
To be Published
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1SYT
 | | Crystal structure of signalling protein from goat SPG-40 in the presense of N,N',N''-triacetyl-chitotriose at 2.6A resolution | | Descriptor: | BP40, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kumar, J, Prem Kumar, R, Srivastava, D.B, Sharma, S, Singh, T.P. | | Deposit date: | 2004-04-02 | | Release date: | 2004-04-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of signalling protein from goat SPG-40 in the presense of N,N',N''-triacetyl-chitotriose at 2.6A resolution
to be published
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6H7T
 | | Native structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turbe-Doan, A, Record, E, Lombard, V, Kumar, R, Henrissat, B, Levasseur, A, Garron, M.L. | | Deposit date: | 2018-07-31 | | Release date: | 2019-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The functional and structural characterization of Trichoderma reesei dehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12.
Appl.Environ.Microbiol., 2019
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6ONM
 | | Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate | | Descriptor: | (+)-limonene synthase, (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate, MANGANESE (II) ION | | Authors: | Prem Kumar, R, Morehouse, B.R, Yu, Q, Oprian, D.D. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Direct Evidence of an Enzyme-Generated LPP Intermediate in (+)-Limonene Synthase Using a Fluorinated GPP Substrate Analog.
Acs Chem.Biol., 14, 2019
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6WKH
 | | Crystal structure of pentalenene synthase mutant F76W complexed with 12,13-difluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Pentalenene synthase | | Authors: | Prem Kumar, R, Matos, J.O, Oprian, D.D. | | Deposit date: | 2020-04-16 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Biochemistry, 59, 2020
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