8GDW
 
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8GF4
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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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6OQE
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6O01
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6NRL
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5ZUR
 | | Achromobacter Dh1f Bacterioferritin | | Descriptor: | BARIUM ION, Bacterioferritin, CHLORIDE ION, ... | | Authors: | Dwivedy, A, Jha, B, Singh, K.H, Ahmed, M, Ashraf, A, Kumar, D, Biswal, B.K. | | Deposit date: | 2018-05-08 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Serendipitous crystallization and structure determination of bacterioferritin from Achromobacter.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5ZVJ
 | | Crystal structure of HtrA1 from Mycobacterium tuberculosis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Serine protease | | Authors: | Khundrakpam, H.S, Yadav, S, Kumar, D, Biswal, B.K. | | Deposit date: | 2018-05-10 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of an essential high-temperature requirement protein HtrA1 (Rv1223) from Mycobacterium tuberculosis reveals its unique features.
Acta Crystallogr D Struct Biol, 74, 2018
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4LQ6
 | | Crystal structure of Rv3717 reveals a novel amidase from M. tuberculosis | | Descriptor: | CHLORIDE ION, N-acetymuramyl-L-alanine amidase-related protein, PLATINUM (II) ION, ... | | Authors: | Kumar, A, Kumar, S, Kumar, D, Mishra, A, Dewangan, R.P, Shrivastava, P, Ramachandran, S, Taneja, B. | | Deposit date: | 2013-07-17 | | Release date: | 2013-12-04 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
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5YNR
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1Y7I
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
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1Y7H
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5ZON
 | | Histidinol phosphate phosphatase from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Histidinol-phosphatase, PHOSPHATE ION, ... | | Authors: | Jha, B, Kumar, D, Biswal, B.K. | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification and structural characterization of a histidinol phosphate phosphatase from Mycobacterium tuberculosis
J. Biol. Chem., 293, 2018
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2MV2
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2LXX
 | | Solution structure of cofilin like UNC-60B protein from Caenorhabditis elegans | | Descriptor: | Actin-depolymerizing factor 2, isoform c | | Authors: | Shukla, V, Yadav, R, Kabra, A, Jain, A, Kumar, D, Ono, S, Arora, A. | | Deposit date: | 2012-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of UNC-60B from Caenorhabditis elegans
To be Published
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2MAZ
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2MP4
 | | Solution Structure of ADF like UNC-60A Protein of Caenorhabditis elegans | | Descriptor: | Actin-depolymerizing factor 1, isoforms a/b | | Authors: | Shukla, V, Yadav, R, Kabra, A, Kumar, D, Ono, S, Arora, A. | | Deposit date: | 2014-05-11 | | Release date: | 2014-06-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Backbone dynamics of ADF like UNC-60A protein from Caenorhabditis elegans: its divergence from conventional ADF/cofilin
To be Published
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6X4Q
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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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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3KZH
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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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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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