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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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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7MHH
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1908 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHP
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | | Descriptor: | 3C-like proteinase, 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.0005 Å) | | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
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7MHN
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1908 Å) | | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
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7MHJ
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity | | Descriptor: | 3C-like proteinase, 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.0005 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHO
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
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7MHI
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHQ
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9601 Å) | | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
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7MHK
 | | Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9601 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MNG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 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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7MRR
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-05-08 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 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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1PV1
 | | Crystal Structure Analysis of Yeast Hypothetical Protein: YJG8_YEAST | | Descriptor: | Hypothetical 33.9 kDa esterase in SMC3-MRPL8 intergenic region | | Authors: | Millard, C, Kumaran, D, Eswaramoorthy, S, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-06-26 | | Release date: | 2004-11-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization and reversal of the natural organophosphate resistance of a D-type esterase, Saccharomyces cerevisiae S-formylglutathione hydrolase.
Biochemistry, 47, 2008
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3BCV
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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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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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3NQB
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3OVG
 | | The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound | | Descriptor: | PHOSPHATE ION, ZINC ION, amidohydrolase | | Authors: | Zhang, Z, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-09-16 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | The crystal structure of an amidohydrolase from Mycoplasma synoviae with Zn ion bound
To be Published
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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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5BUW
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5BUY
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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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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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