7CCA
 
 | | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase | | Authors: | Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D. | | Deposit date: | 2020-06-16 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements.
Int.J.Biol.Macromol., 167, 2021
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4N42
 | | Crystal structure of allergen protein scam1 from Scadoxus multiflorus | | Descriptor: | PHOSPHATE ION, Xylanase and alpha-amylase inhibitor protein isoform III | | Authors: | Singh, A, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-10-08 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of allergen protein scam1 from Scadoxus multiflorus
To be published
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4NZC
 | | Crystal structure of Chitinase D from Serratia proteamaculans at 1.45 Angstrom resolution | | Descriptor: | ACETATE ION, GLYCEROL, Glycoside hydrolase family 18 | | Authors: | Madhuprakash, J, Singh, A, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Podile, A.R, Singh, T.P. | | Deposit date: | 2013-12-12 | | Release date: | 2014-01-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of chitinase D from Serratia proteamaculans reveals the structural basis of its dual action of hydrolysis and transglycosylation
Int J Biochem Mol Biol, 4, 2013
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2FJ2
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | Descriptor: | Viral macrophage inflammatory protein-II | | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | Deposit date: | 2005-12-30 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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2FHT
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | Descriptor: | Viral macrophage inflammatory protein-II | | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | Deposit date: | 2005-12-27 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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3H8B
 | | A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) | | Descriptor: | Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide | | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | | Deposit date: | 2009-04-29 | | Release date: | 2009-10-20 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
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3H89
 | | A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) | | Descriptor: | Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide | | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | | Deposit date: | 2009-04-29 | | Release date: | 2009-10-20 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
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3H8C
 | | A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14) | | Descriptor: | Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide | | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | | Deposit date: | 2009-04-29 | | Release date: | 2009-10-20 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors
J.Med.Chem., 2009
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8FXU
 | | Thermoanaerobacter thermosaccharolyticum periplasmic Glucose-Binding Protein glucose complex: Badan conjugate attached at F17C | | Descriptor: | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Allert, M.J, Kumar, S, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
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8FXT
 | | Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C | | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ... | | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
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3TW6
 | | Structure of Rhizobium etli pyruvate carboxylase T882A with the allosteric activator, acetyl coenzyme-A | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | St Maurice, M, Kumar, S, Lietzan, A.D. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-19 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
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3TW7
 | | Structure of Rhizobium etli pyruvate carboxylase T882A crystallized without acetyl coenzyme-A | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Pyruvate carboxylase protein, ... | | Authors: | St Maurice, M, Kumar, S, Lietzan, A.D. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-12 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
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2QJE
 | | Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Jain, R, Kumar, S, Sinha, M, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Bhushan, A, Singh, T.P. | | Deposit date: | 2007-07-07 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of Bovine C-lobe with Amygdalin at 2.3A resolution
To be Published
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2R71
 | | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Kumar, S, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the complex of bovine C-lobe with inositol at 2.1A resolution
To be Published
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2R9J
 | | Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Vikram, G, Singh, N, Kumar, S, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution
To be Published
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2LXN
 | | Solution NMR structure of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii | | Descriptor: | GMP synthase [glutamine-hydrolyzing] subunit A | | Authors: | Ali, R, Kumar, S, Balaram, H, Sarma, S.P. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C, 15N assignment and secondary structure determination of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii
Biomol.Nmr Assign., 6, 2012
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5Y9R
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2Q6N
 | | Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | | Descriptor: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | | Deposit date: | 2007-06-05 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
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2ROU
 | | Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat | | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3') | | Authors: | Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P. | | Deposit date: | 2008-04-20 | | Release date: | 2009-03-03 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
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2SCP
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7U0P
 | | SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Patel, A, Ortlund, E. | | Deposit date: | 2022-02-18 | | Release date: | 2022-08-10 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
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7UPL
 | | SARS-Cov2 Omicron varient S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Patel, A, Ortlund, E. | | Deposit date: | 2022-04-15 | | Release date: | 2022-08-10 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
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6O3I
 | | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | | Authors: | Harris, S.F, Oh, A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-07 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
J.Med.Chem., 62, 2019
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7MK3
 | | Crystal structure of NPR1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ... | | Authors: | Cheng, J, Wu, Q, Zhou, P. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
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3OIW
 | | H-RasG12V with allosteric switch in the "on" state | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Kumar, S, Buhrman, G, Mattos, C. | | Deposit date: | 2010-08-20 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase.
J.Biol.Chem., 286, 2011
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