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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5BUW
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5BUY
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5BUX
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1I1E
 | | CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN | | Descriptor: | BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ... | | Authors: | Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | | Deposit date: | 2001-02-01 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B.
Acta Crystallogr.,Sect.D, 57, 2001
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3BCV
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3BZW
 | | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron | | Descriptor: | ACETATE ION, Putative lipase, SULFATE ION | | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-01-18 | | Release date: | 2008-02-05 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of a putative lipase from Bacteroides thetaiotaomicron.
To be Published
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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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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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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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3IBQ
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-07-16 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP
To be Published
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3K85
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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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1TH2
 | | crystal structure of NADPH depleted bovine liver catalase complexed with azide | | Descriptor: | AZIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-06-01 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of bovine liver catalase
TO BE PUBLISHED
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1TH3
 | | Crystal structure of NADPH depleted bovine live catalase complexed with cyanide | | Descriptor: | CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-06-01 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of bovine liver catalase
TO BE PUBLISHED
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1TGU
 | | The crystal structure of bovine liver catalase without NADPH | | Descriptor: | Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-05-31 | | Release date: | 2005-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of bovine liver catalase
TO BE PUBLISHED
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1XEV
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1XEG
 | | Crystal structure of human carbonic anhydrase II complexed with an acetate ion | | Descriptor: | ACETATE ION, Carbonic anhydrase II, ZINC ION | | Authors: | Mazumdar, P.A, Kumaran, D, Das, A.K, Swaminathan, S. | | Deposit date: | 2004-09-10 | | Release date: | 2005-09-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A novel acetate-bound complex of human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 64, 2008
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1XFJ
 | | Crystal structure of protein CC_0490 from Caulobacter crescentus, Pfam DUF152 | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2004-09-14 | | Release date: | 2004-09-21 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a conserved hypothetical protein from Caulobacter crescentus
To be Published
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1YXW
 | | A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin | | Descriptor: | GLUTAMIC ACID, TRYPTOPHAN, TYROSINE, ... | | Authors: | Jayaraman, S, Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | | Deposit date: | 2005-02-22 | | Release date: | 2005-03-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
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1YVG
 | | Structural analysis of the catalytic domain of tetanus neurotoxin | | Descriptor: | Tetanus toxin, light chain, ZINC ION | | Authors: | Rao, K.N, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2005-02-15 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of the catalytic domain of tetanus neurotoxin.
Toxicon, 45, 2005
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