4J2U
| Crystal structure of an enoyl-CoA hydratase from Rhodobacter sphaeroides 2.4.1 | Descriptor: | Enoyl-CoA hydratase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-05 | Release date: | 2013-02-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an enoyl-CoA hydratase from Rhodobacter sphaeroides 2.4.1 To be Published
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4JFC
| Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666 | Descriptor: | Enoyl-CoA hydratase, GLYCEROL | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-28 | Release date: | 2013-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of a enoyl-CoA hydratase from Polaromonas sp. JS666 To be Published
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4JCU
| Crystal structure of a 5-carboxymethyl-2-hydroxymuconate isomerase from Deinococcus radiodurans R1 | Descriptor: | 5-carboxymethyl-2-hydroxymuconate isomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-22 | Release date: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a 5-carboxymethyl-2-hydroxymuconate isomerase from Deinococcus radiodurans R1 To be Published
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4KPK
| Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345 | Descriptor: | 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-05-13 | Release date: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345 To be Published
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4KD6
| Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-24 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M To be Published
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4LK5
| Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10 | Descriptor: | enoyl-CoA hydratase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-06 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10 To be Published
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4LKB
| Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 | Descriptor: | GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-07 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 To be Published
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4M1A
| Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | Descriptor: | Hypothetical protein | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-02 | Release date: | 2013-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386 To be Published
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8GDW
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8GF4
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2G59
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7K40
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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2QS8
| Crystal structure of a Xaa-Pro dipeptidase with bound methionine in the active site | Descriptor: | MAGNESIUM ION, METHIONINE, Xaa-Pro Dipeptidase | Authors: | Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-07-30 | Release date: | 2007-08-21 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes. Biochemistry, 48, 2009
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3QW6
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-26 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW7
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-27 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW5
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF | Descriptor: | Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-26 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW8
| Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-27 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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7MHF
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHG
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHL
| Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHM
| Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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1NKQ
| Crystal structure of yeast ynq8, a fumarylacetoacetate hydrolase family protein | Descriptor: | ACETIC ACID, CALCIUM ION, Hypothetical 28.8 kDa protein in PSD1-SKO1 intergenic region, ... | Authors: | Eswaramoorthy, S, Kumaran, D, Daniels, B, Studier, F.W, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-01-03 | Release date: | 2004-06-15 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crtystal Structure of Yeast Hypothetical Protein YNQ8_YEAST To be Published
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2F1R
| Crystal Structure of molybdopterin-guanine biosynthesis protein B (mobB) | Descriptor: | CHLORIDE ION, PRASEODYMIUM ION, molybdopterin-guanine dinucleotide biosynthesis protein B (mobB) | Authors: | Damodharan, L, Eswaramoorthy, S, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-11-15 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of molybdopterin-guanine dinucleotide biosynthesis protein B (mobB) To be Published
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2GU1
| Crystal structure of a zinc containing peptidase from vibrio cholerae | Descriptor: | SODIUM ION, ZINC ION, Zinc peptidase | Authors: | Sugadev, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-28 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative lysostaphin peptidase from Vibrio cholerae. Proteins, 72, 2008
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2GOK
| Crystal structure of the imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution | Descriptor: | CHLORIDE ION, FE (III) ION, GLYCEROL, ... | Authors: | Tyagi, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-04-13 | Release date: | 2006-04-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | X-ray structure of imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution. Proteins, 69, 2007
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