3JY6
 
 | | Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional regulator, ... | | Authors: | Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis
To be Published
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3KSM
 | | Crystal structure of ABC-type sugar transport system, periplasmic component from Hahella chejuensis | | Descriptor: | ABC-type sugar transport system, periplasmic component, beta-D-ribofuranose | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-15 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of ABC-type sugar transport system, periplasmic component from Hahella chejuensis
To be Published
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3KZH
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3LM4
 | | Crystal Structure of 2,3-Dihydroxy Biphenyl dioxygenase from Rhodococcus sp. (strain RHA1) | | Descriptor: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, Catechol 2,3-dioxygenase, FE (III) ION, ... | | Authors: | Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-02-23 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of 2,3-Dihydroxy Biphenyl dioxygenase from Rhodococcus sp. (strain RHA1)
To be Published
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1S0B
 | | Crystal structure of botulinum neurotoxin type B at pH 4.0 | | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION | | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
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1S0D
 | | Crystal structure of botulinum neurotoxin type B at pH 5.5 | | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
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1S0G
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1S0C
 | | Crystal structure of botulinum neurotoxin type B at pH 5.0 | | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
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1S0F
 | | Crystal structure of botulinum neurotoxin type B at pH 7.0 | | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
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1S0E
 | | Crystal structure of botulinum neurotoxin type B at pH 6.0 | | Descriptor: | Botulinum neurotoxin type B, CALCIUM ION, ZINC ION | | Authors: | Eswaramoorthy, S, Kumaran, D, Keller, J, Swaminathan, S. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of metals in the biological activity of Clostridium botulinum neurotoxins
Biochemistry, 43, 2004
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1T3A
 | | Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain | | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2004-04-26 | | Release date: | 2004-06-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
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1T3C
 | | Clostridium botulinum type E catalytic domain E212Q mutant | | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2004-04-26 | | Release date: | 2004-06-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
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1TH4
 | | crystal structure of NADPH depleted bovine liver catalase complexed with 3-amino-1,2,4-triazole | | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-06-01 | | Release date: | 2005-07-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | crystal structure of bovine liver catalase
TO BE PUBLISHED
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2OGJ
 | | Crystal structure of a dihydroorotase | | Descriptor: | Dihydroorotase, IMIDAZOLE, ZINC ION | | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-01-05 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structure of a dihydroorotase
To be Published
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2QVC
 | | Crystal structure of a periplasmic sugar ABC transporter from Thermotoga maritima | | Descriptor: | Sugar ABC transporter, periplasmic sugar-binding protein, beta-D-glucopyranose | | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-08-08 | | Release date: | 2007-08-28 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a periplasmic glucose-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 68, 2012
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2QXY
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2UW1
 | | Ivy Desaturase Structure | | Descriptor: | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ... | | Authors: | Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
J.Biol.Chem., 282, 2007
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 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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7K3T
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-13 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 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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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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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 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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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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7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 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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2HAF
 | | Crystal structure of a putative translation repressor from Vibrio cholerae | | Descriptor: | Putative translation repressor | | Authors: | Sugadev, R, Seetharaman, J, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-06-12 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Crystal structure of a putative translation repressor from Vibrio cholerae
To be Published
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2ICS
 | | Crystal structure of an adenine deaminase | | Descriptor: | ADENINE, Adenine Deaminase, ZINC ION | | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-13 | | Release date: | 2006-10-17 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an adenine deaminase
TO BE PUBLISHED
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