1S6A
 
 | | The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with azide ligand | | Descriptor: | AZIDE ION, CITRATE ANION, Cyanoglobin, ... | | Authors: | Trent III, J.T, Kundu, S, Hoy, J.A, Hargrove, M.S. | | Deposit date: | 2004-01-22 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystallographic analysis of synechocystis cyanoglobin reveals the structural changes accompanying ligand binding in a hexacoordinate hemoglobin.
J.Mol.Biol., 341, 2004
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3O0E
 | | Crystal structure of OmpF in complex with colicin peptide OBS1 | | Descriptor: | Colicin-E9, Porin OmpF, octyl beta-D-glucopyranoside | | Authors: | Wojdyla, J.A, Housden, N.G, Korczynska, J, Grishkovskaya, I, Kirkpatrick, N, Brzozowski, A.M, Kleanthous, C. | | Deposit date: | 2010-07-19 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Directed epitope delivery across the Escherichia coli outer membrane through the porin OmpF.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1RXV
 | | Crystal Structure of A. Fulgidus FEN-1 bound to DNA | | Descriptor: | 5'-d(*T*pA*pG*pC*pA*pT*pC*pG*pG), Flap structure-specific endonuclease | | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | | Deposit date: | 2003-12-18 | | Release date: | 2004-01-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair
Cell(Cambridge,Mass.), 116, 2004
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3ZVU
 | | Structure of the PYR1 His60Pro mutant in complex with the HAB1 phosphatase and Abscisic acid | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABSCISIC ACID RECEPTOR PYR1, MANGANESE (II) ION, ... | | Authors: | Betz, K, Dupeux, F, Santiago, J, Rodriguez, P.L, Marquez, J.A. | | Deposit date: | 2011-07-27 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Thermodynamic Switch Modulates Abscisic Acid Receptor Sensitivity.
Embo J., 30, 2011
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3ZXN
 | | Moorella thermoacetica RsbS S58E | | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, THIOCYANATE ION | | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | | Deposit date: | 2011-08-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
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3OOC
 | | Crystal structure of the membrane fusion protein CusB from Escherichia coli | | Descriptor: | Cation efflux system protein cusB | | Authors: | Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W. | | Deposit date: | 2010-08-30 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.404 Å) | | Cite: | Crystal structure of the membrane fusion protein CusB from Escherichia coli.
J.Mol.Biol., 393, 2009
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1PKH
 | | STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase | | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | Deposit date: | 2003-06-05 | | Release date: | 2003-08-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
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3ZUM
 | | Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
J Phys Chem B, 115, 2011
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3ZL9
 | | Crystal structure of the nucleocapsid protein from Schmallenberg virus | | Descriptor: | NUCLEOCAPSID PROTEIN | | Authors: | Ariza, A, Tanner, S.J, Walter, C.T, Dent, K.C, Shepherd, D.A, Wu, W, Matthews, S.V, Hiscox, J.A, Green, T.J, Luo, M, Elliot, R.M, Ashcroft, A.E, Stonehouse, N.J, Ranson, N.A, Barr, J.N, Edwards, T.A. | | Deposit date: | 2013-01-29 | | Release date: | 2013-05-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Nucleocapsid Protein Structures from Orthobunyaviruses Reveal Insight Into Ribonucleoprotein Architecture and RNA Polymerization.
Nucleic Acids Res., 41, 2013
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3R09
 | | Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg | | Descriptor: | Hydrolase, haloacid dehalogenase-like family, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-03-07 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg
To be Published
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3R0U
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate and Mg complex | | Descriptor: | D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ... | | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-03-09 | | Release date: | 2011-04-06 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3ZLA
 | | Crystal structure of the nucleocapsid protein from Bunyamwera virus bound to RNA | | Descriptor: | NUCLEOPROTEIN, RNA | | Authors: | Ariza, A, Tanner, S.J, Walter, C.T, Dent, K.C, Shepherd, D.A, Wu, W, Matthews, S.V, Hiscox, J.A, Green, T.J, Luo, M, Elliot, R.M, Ashcroft, A.E, Stonehouse, N.J, Ranson, N.A, Barr, J.N, Edwards, T.A. | | Deposit date: | 2013-01-29 | | Release date: | 2013-05-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Nucleocapsid Protein Structures from Orthobunyaviruses Reveal Insight Into Ribonucleoprotein Architecture and RNA Polymerization.
Nucleic Acids Res., 41, 2013
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1PU0
 | | Structure of Human Cu,Zn Superoxide Dismutase | | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | | Deposit date: | 2003-06-23 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
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1PZN
 | | Rad51 (RadA) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA repair and recombination protein rad51, GLYCEROL, ... | | Authors: | Shin, D.S, Tainer, J.A. | | Deposit date: | 2003-07-12 | | Release date: | 2003-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full-length archaeal Rad51 structure and mutants: Mechanisms for RAD51 assembly and control by BRCA2
Embo J., 22, 2003
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3RLU
 | | Crystal structure of the mutant K82A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-04-20 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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1Q4L
 | | GSK-3 Beta complexed with Inhibitor I-5 | | Descriptor: | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | | Deposit date: | 2003-08-04 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
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4A95
 | | Plasmodium vivax N-myristoyltransferase with quinoline inhibitor | | Descriptor: | 2-oxopentadecyl-CoA, 3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE, CHLORIDE ION, ... | | Authors: | Goncalves, V, Brannigan, J.A, Whalley, D, Ansell, K.H, Saxty, B, Holder, A.A, Wilkinson, A.J, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2011-11-24 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.
J.Med.Chem., 55, 2012
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4AJ2
 | | rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | | Descriptor: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | | Deposit date: | 2012-02-15 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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4AJO
 | | rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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4AJE
 | | rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid | | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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1PKJ
 | | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | | Authors: | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | Deposit date: | 2003-06-05 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
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4AQ3
 | | HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide | | Authors: | Bertrand, J.A, Fasolini, M, Modugno, M. | | Deposit date: | 2012-04-12 | | Release date: | 2012-06-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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1PL4
 | | Crystal Structure of human MnSOD Y166F mutant | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Fan, L, Tainer, J.A. | | Deposit date: | 2003-06-06 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
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4AJL
 | | rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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3R25
 | | Crystal structure of enolase superfamily member from Vibrionales bacterium complexed with Mg and Glycerol in the active site | | Descriptor: | GLYCEROL, MAGNESIUM ION, mandelate racemase / muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-03-13 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Crystal structure of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and Glycerol in the active site
To be Published
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