3URI
 
 | | Endothiapepsin-DB5 complex. | | Descriptor: | DB5 peptide, Endothiapepsin | | Authors: | Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B. | | Deposit date: | 2011-11-22 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
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3HIH
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2GEN
 | | Structural Genomics, the crystal structure of a probable transcriptional regulator from Pseudomonas aeruginosa PAO1 | | Descriptor: | probable transcriptional regulator | | Authors: | Tan, K, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-20 | | Release date: | 2006-04-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of a probable transcriptional regulator from Pseudomonas aeruginosa PAO1
To be Published
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3HIK
 | | Structure of human Plk1-PBD in complex with PLHSpT | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pentamer phosphopeptide, ... | | Authors: | Wlodawer, A, Moulaei, T. | | Deposit date: | 2009-05-20 | | Release date: | 2009-06-09 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.
Nat.Struct.Mol.Biol., 16, 2009
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2FXA
 | | Structure of the Protease Production Regulatory Protein hpr from Bacillus subtilis. | | Descriptor: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, ... | | Authors: | Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-02-03 | | Release date: | 2006-03-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Protease Production Regulatory Protein hpr from Bacillus subtilis.
TO BE PUBLISHED
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2GE3
 | | Crystal structure of Probable acetyltransferase from Agrobacterium tumefaciens | | Descriptor: | ACETYL COENZYME *A, probable acetyltransferase | | Authors: | Chang, C, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of Probable acetyltransferase from Agrobacterium tumefaciens
To be Published
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6KP1
 | | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid | | Descriptor: | METHIONINE, SODIUM ION, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | Deposit date: | 2019-08-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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2GFN
 | | Crystal structure of HTH-type transcriptional regulator pksA related protein from Rhodococcus sp. RHA1 | | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator pksA related protein | | Authors: | Nocek, B, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-22 | | Release date: | 2006-04-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of HTH-type transcriptional regulator pksA related protein from Rhodococcus sp. RHA1
To be Published
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2G84
 | | Cytidine and deoxycytidylate deaminase zinc-binding region from Nitrosomonas europaea. | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Cytidine and deoxycytidylate deaminase zinc-binding region, ... | | Authors: | Osipiuk, J, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-01 | | Release date: | 2006-04-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray crystal structure of Cytidine and deoxycytidylate deaminase zinc-binding region from Nitrosomonas europaea.
To be Published
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2G8Y
 | | The structure of a putative malate/lactate dehydrogenase from E. coli. | | Descriptor: | 1,2-ETHANEDIOL, Malate/L-lactate dehydrogenases, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-03 | | Release date: | 2006-04-25 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The structure of a putative malate/lactate dehydrogenase from E. coli.
To be Published
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3UMO
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium | | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2
Biophys.J., 105, 2013
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3USC
 | | Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized form | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | Deposit date: | 2011-11-23 | | Release date: | 2012-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8E1P
 | | Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIP.v4.1-GT1.2gp120, ... | | Authors: | Sarkar, A, Kumar, S, Wilson, I.A. | | Deposit date: | 2022-08-11 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.82 Å) | | Cite: | Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
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2GDQ
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution | | Descriptor: | yitF | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-03-16 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
To be Published
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3HKK
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3HKN
 | | Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide | | Descriptor: | 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
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3HKQ
 | | Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | | Descriptor: | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
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7RLS
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-26 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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6KP0
 | | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine | | Descriptor: | ARGININE, SODIUM ION, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | Deposit date: | 2019-08-13 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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7RNK
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71 | | Descriptor: | 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-29 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7RM2
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1 | | Descriptor: | 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-26 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7RME
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52 | | Descriptor: | 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7RMT
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70 | | Descriptor: | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7RNH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | | Descriptor: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-29 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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2G7L
 | | Crystal structure of putative transcription regulator SCO7704 from Streptomyces coelicor | | Descriptor: | TetR-family transcriptional regulator | | Authors: | Ezersky, A, Lunin, V.V, Skarina, T, Wierzbicka, M, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-02-28 | | Release date: | 2006-03-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of putative transcription regulator SCO7704 from Streptomyces coelicor
To be Published
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