2PF8
 
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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2PFH
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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1W8I
 | | The Structure of gene product af1683 from Archaeoglobus fulgidus. | | Descriptor: | PUTATIVE VAPC RIBONUCLEASE AF_1683 | | Authors: | Midwest Center for Structural Genomics (MCSG), Cuff, M.E, Zhang, R, Ginell, S.L, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A. | | Deposit date: | 2004-09-22 | | Release date: | 2004-11-16 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of Gene Product Af1683 from Archaeoglobus Fulgidus
To be Published
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2QXW
 | | Perdeuterated alr2 in complex with idd594 | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A. | | Deposit date: | 2007-08-13 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5E1G
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | | Descriptor: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | | Deposit date: | 2015-09-29 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5DZP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B | | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5DZJ
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5E5L
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5E1I
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | | Deposit date: | 2015-09-29 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5E51
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct | | Descriptor: | (3R)-3-hydroxybutanal, L,D-transpeptidase 1 | | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | | Deposit date: | 2015-10-07 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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1I2B
 | | CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-SULFOQUINOVOSE/UDP-GLUCOSE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ... | | Authors: | Theisen, M.J, Sanda, S.L, Ginell, S.L, Benning, C, Garavito, R.M. | | Deposit date: | 2001-02-07 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of the Active Site of UDP-sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State
To be Published
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3GHU
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Forth stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3GHS
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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3GHT
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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1I2C
 | | CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ... | | Authors: | Theisen, M.J, Sanda, S.L, Ginell, S.L, Benning, C, Garavito, R.M. | | Deposit date: | 2001-02-07 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Characterization of the Active Site of UDP-sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State.
To be Published
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1IW2
 | | X-ray structure of Human Complement Protein C8gamma at pH=7.O | | Descriptor: | Complement Protein C8gamma | | Authors: | Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L. | | Deposit date: | 2002-04-11 | | Release date: | 2002-06-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
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1I24
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE WILD-TYPE PROTEIN SQD1, WITH NAD AND UDP-GLUCOSE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, SULFOLIPID BIOSYNTHESIS PROTEIN SQD1, ... | | Authors: | Theisen, M.J, Sanda, S.L, Ginell, S.L, Benning, C, Garavito, R.M. | | Deposit date: | 2001-02-05 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Characterization of the Active Site of Udp-Sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State
To be Published
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1LF7
 | | Crystal Structure of Human Complement Protein C8gamma at 1.2 A Resolution | | Descriptor: | CITRIC ACID, Complement Protein C8gamma | | Authors: | Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L. | | Deposit date: | 2002-04-10 | | Release date: | 2002-06-12 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
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1DIY
 | | CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ... | | Authors: | Malkowski, M.G, Ginell, S.L, Smith, W.L, Garavito, R.M. | | Deposit date: | 1999-11-30 | | Release date: | 2000-09-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
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1D76
 | | CRYSTAL AND MOLECULAR STRUCTURE OF A DNA FRAGMENT CONTAINING A 2-AMINO ADENINE MODIFICATION: THE RELATIONSHIP BETWEEN CONFORMATION, PACKING, AND HYDRATION IN Z-DNA HEXAMERS | | Descriptor: | DNA (5'-D(*CP*GP*UP*(1AP)P*CP*G)-3') | | Authors: | Schneider, B, Ginell, S.L, Jones, R, Gaffney, B, Berman, H.M. | | Deposit date: | 1992-05-19 | | Release date: | 1992-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal and molecular structure of a DNA fragment containing a 2-aminoadenine modification: the relationship between conformation, packing, and hydration in Z-DNA hexamers.
Biochemistry, 31, 1992
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3ODF
 | | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Second step of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | | Deposit date: | 2010-08-11 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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3ODD
 | | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Second step of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | | Deposit date: | 2010-08-11 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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1D28
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3MNX
 | | Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth stage of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.386 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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3MNC
 | | Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Second stage of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.119 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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