6MRO
 
 | | Crystal structure of methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution, Northeast Structural Genomics Consortium (NESG) Target MvR53. | | Descriptor: | CALCIUM ION, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Singh, S, Forouhar, F, Wang, C, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2018-10-15 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution.
To Be Published
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6U9U
 | | Structure of GM9_TH8seq732127 FAB | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ... | | Authors: | Singh, S, Liban, T.J, Pancera, M. | | Deposit date: | 2019-09-09 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
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3F3A
 | | Crystal Structure of LeuT bound to L-Tryptophan and Sodium | | Descriptor: | SODIUM ION, TETRADECANE, TRYPTOPHAN, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F3D
 | | Crystal structure of LeuT bound to L-Methionine and sodium | | Descriptor: | METHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F3E
 | | Crystal structure of LeuT bound to L-leucine (30 mM) and sodium | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F3C
 | | Crystal structure of LeuT bound to 4-Fluoro-L-Phenylalanine and sodium | | Descriptor: | 4-FLUORO-L-PHENYLALANINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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6WAS
 | | Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold | | Descriptor: | 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ... | | Authors: | Singh, S, Liban, T.J, Pancera, M. | | Deposit date: | 2020-03-26 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6K16
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1XO3
 | | Solution Structure of Ubiquitin like protein from Mus Musculus | | Descriptor: | RIKEN cDNA 2900073H19 | | Authors: | Singh, S, Tonelli, M, Tyler, R.C, Bahrami, A, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2004-10-05 | | Release date: | 2004-10-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the AAH26994.1 protein from Mus musculus, a putative eukaryotic Urm1.
Protein Sci., 14, 2005
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6VJN
 | | Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide | | Descriptor: | D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ... | | Authors: | Singh, S, Liban, T.J, Pancera, M. | | Deposit date: | 2020-01-16 | | Release date: | 2021-01-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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1XO8
 | | Solution structure of AT1g01470 from Arabidopsis Thaliana | | Descriptor: | At1g01470 | | Authors: | Singh, S, Cornilescu, C.C, Tyler, R.C, Cornilescu, G, Tonelli, M, Lee, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2004-10-06 | | Release date: | 2004-10-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a late embryogenesis abundant protein (LEA14) from Arabidopsis thaliana, a cellular stress-related protein
Protein Sci., 14, 2005
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2GPT
 | | Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-dehydroquinate dehydratase/ shikimate 5-dehydrogenase, L(+)-TARTARIC ACID, ... | | Authors: | Singh, S.A, Christendat, D. | | Deposit date: | 2006-04-18 | | Release date: | 2006-06-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase and implications for metabolic channeling in the shikimate pathway
Biochemistry, 45, 2006
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8H8X
 | | Cryo-EM structure of HACE1 monomer | | Descriptor: | E3 ubiquitin-protein ligase HACE1 | | Authors: | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J. | | Deposit date: | 2022-10-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structural Basis for the Enzymatic Activity of the HACE1 HECT-Type E3 Ligase Through N-Terminal Helix Dimerization.
Adv Sci, 10, 2023
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1ZXF
 | | Solution structure of a self-sacrificing resistance protein, CalC from Micromonospora echinospora | | Descriptor: | CalC | | Authors: | Singh, S, Hager, M.H, Zhang, C, Griffith, B.R, Lee, M.S, Hallenga, K, Markley, J.L, Thorson, J.S, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-06-08 | | Release date: | 2005-12-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
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8HAE
 | | Cryo-EM structure of HACE1 dimer | | Descriptor: | E3 ubiquitin-protein ligase HACE1 | | Authors: | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J, Machida, S. | | Deposit date: | 2022-10-26 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structural Basis for the Enzymatic Activity of the HACE1 HECT-Type E3 Ligase Through N-Terminal Helix Dimerization.
Adv Sci, 10, 2023
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1RKU
 | | Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, homoserine kinase | | Authors: | Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H. | | Deposit date: | 2003-11-23 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
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1RKV
 | | Structure of Phosphate complex of ThrH from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H. | | Deposit date: | 2003-11-23 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
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6EBE
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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5X6N
 | | Structure of P. Knowlesi DBL Domain Capable of binding Human Duffy Antigen | | Descriptor: | Duffy binding protein, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Singh, S.K, Hora, R, Belrhali, H, Chitnis, C, Sharma, A. | | Deposit date: | 2017-02-22 | | Release date: | 2017-03-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for Duffy recognition by the malaria parasite Duffy-binding-like domain
Nature, 439, 2006
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2GKD
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2L65
 | | HADDOCK calculated model of the complex of the resistance protein CalC and Calicheamicin-Gamma | | Descriptor: | 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-thio-beta-D-allopyranose, 3-O-methyl-alpha-L-rhamnopyranose, ... | | Authors: | Singh, S, Markley, J.L, Thorson, J.S, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-15 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
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7E6W
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7E9R
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1LW7
 | | NADR PROTEIN FROM HAEMOPHILUS INFLUENZAE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, TRANSCRIPTIONAL REGULATOR NADR | | Authors: | Singh, S.K, Kurnasov, O.V, Chen, B, Robinson, H, Grishin, N.V, Osterman, A.L, Zhang, H. | | Deposit date: | 2002-05-30 | | Release date: | 2002-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of Haemophilus influenzae NadR protein. A bifunctional enzyme endowed with NMN adenyltransferase and ribosylnicotinimide kinase activities.
J.Biol.Chem., 277, 2002
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5YDC
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