4KND
 
 | | Thioredoxin from Anaeromyxobacter dehalogenans. | | Descriptor: | Thioredoxin | | Authors: | Osipiuk, J, Hatzos-Skintges, C, Clancy, S, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2013-05-09 | | Release date: | 2013-05-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Thioredoxin from Anaeromyxobacter dehalogenans.
To be Published
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4KNJ
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2013-05-10 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
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4KNQ
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4KBS
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA) | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-23 | | Release date: | 2013-07-17 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4K2H
 | | Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium | | Descriptor: | Intracellular protease/amidase, ZINC ION | | Authors: | Shumilin, I.A, Niedzialkowska, E, Domagalski, M.J, Stam, J, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-04-09 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
TO BE PUBLISHED
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4K46
 | | Crystal Structure of Adenylate Kinase from Photobacterium profundum | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ... | | Authors: | Cho, Y.-J, Kerns, S.J, Kern, D. | | Deposit date: | 2013-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Alike but Different: Adenylate kinases from E. Coli, Aquifex, and P. profundum
To be Published
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5LKK
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4K4P
 | | TL-3 inhibited Trp6Ala HIV Protease | | Descriptor: | HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Tiefenbrunn, T, Stout, C.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
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4K4X
 | | Coxsackievirus B3 polymerase elongation complex (r2_form), rna | | Descriptor: | GLYCEROL, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), ... | | Authors: | Gong, P, Peersen, O.B. | | Deposit date: | 2013-04-12 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
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4K5O
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3K4J
 | | Pyranose 2-oxidase H450Q mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Divne, C, Tan, T.C. | | Deposit date: | 2009-10-05 | | Release date: | 2010-05-12 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase.
Febs J., 277, 2010
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4KDU
 | | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1) | | Descriptor: | Glutathione S-transferase domain | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1)
To be Published
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4KE6
 | | Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol | | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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4K6E
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4K6J
 | | Human cohesin inhibitor WapL | | Descriptor: | ACETATE ION, SULFATE ION, Wings apart-like protein homolog | | Authors: | Tomchick, D.R, Yu, H, Ouyang, Z. | | Deposit date: | 2013-04-16 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6205 Å) | | Cite: | Structure of the human cohesin inhibitor Wapl.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4K7D
 | | Crystal Structure of Parkin C-terminal RING domains | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, MALONATE ION, ... | | Authors: | Sauve, V, Trempe, J.-F, Menade, M, Gehring, K. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of parkin reveals mechanisms for ubiquitin ligase activation.
Science, 340, 2013
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4K7X
 | | Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains | | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains
To be Published
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4KAJ
 | | X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR151
To be Published
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4KGF
 | | Crystal structure of near-infrared fluorescent protein with an extended stokes shift, ph 8.0 | | Descriptor: | CHLORIDE ION, TagRFP675, red fluorescent protein | | Authors: | Malashkevich, V.N, Piatkevich, K, Almo, S.C, Verkhusha, V, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-29 | | Release date: | 2013-05-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Extended Stokes shift in fluorescent proteins: chromophore-protein interactions in a near-infrared TagRFP675 variant.
Sci Rep, 3, 2013
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4KC2
 | | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | | Descriptor: | 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ... | | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
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3JWC
 | | Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A) | | Descriptor: | 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Anderson, A.C, Beierlein, J.M, Karri, N.G. | | Deposit date: | 2009-09-18 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
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3K7W
 | | Protein phosphatase 2A core complex bound to dinophysistoxin-2 | | Descriptor: | (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[( 2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Jeffrey, P.D, Huhn, J, Shi, Y. | | Deposit date: | 2009-10-13 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
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4KIO
 | | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | | Descriptor: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2013-05-02 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
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4KE2
 | | Crystal structure of the hyperactive Type I antifreeze from winter flounder | | Descriptor: | Type I hyperactive antifreeze protein | | Authors: | Sun, T, Lin, F.-H, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An antifreeze protein folds with an interior network of more than 400 semi-clathrate waters.
Science, 343, 2014
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3JWK
 | | Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A) | | Descriptor: | 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Anderson, A.C, Beierlein, J.M, Karri, N.G. | | Deposit date: | 2009-09-18 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
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