4KT2
 
 | | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol | | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-05-19 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
To be Published
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4KC4
 | | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | | Descriptor: | 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, 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 (1.6 Å) | | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
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4KE3
 | | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2) | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2)
To be Published
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2C0S
 | | NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis | | Descriptor: | CONSERVED DOMAIN PROTEIN | | Authors: | Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S. | | Deposit date: | 2005-09-07 | | Release date: | 2006-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli.
J. Biol. Chem., 281, 2006
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7OH4
 | | Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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2BJH
 | | Crystal Structure Of S133A AnFaeA-ferulic acid complex | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | | Authors: | Faulds, C.B, Molina, R, Gonzalez, R, Husband, F, Juge, N, Sanz-Aparicio, J, Hermoso, J.A. | | Deposit date: | 2005-02-02 | | Release date: | 2005-09-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Probing the Determinants of Substrate Specificity of a Feruloyl Esterase, Anfaea, from Aspergillus Niger
FEBS J., 272, 2005
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7OH7
 | | Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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2BEH
 | | Crystal structure of antithrombin variant S137A/V317C/T401C with plasma latent antithrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | | Authors: | Johnson, D.J, Luis, S.A, Huntington, J.A. | | Deposit date: | 2005-10-24 | | Release date: | 2005-11-01 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation.
J.Biol.Chem., 281, 2006
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7OH6
 | | Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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2BN0
 | | Banana Lectin bound to Laminaribiose | | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ... | | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | | Deposit date: | 2005-03-17 | | Release date: | 2005-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site.
Glycobiology, 15, 2005
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7OH5
 | | Cryo-EM structure of Drs2p-Cdc50p in the E1-AlFx-ADP state | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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1YU0
 | | Major Tropism Determinant P1 Variant | | Descriptor: | CALCIUM ION, Major Tropism Determinant (Mtd-P1) | | Authors: | McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P. | | Deposit date: | 2005-02-11 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
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1YU3
 | | Major Tropism Determinant I1 Variant | | Descriptor: | MAGNESIUM ION, Major Tropism Determinant (Mtd-I1) | | Authors: | McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P. | | Deposit date: | 2005-02-11 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
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4LT8
 | | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-G on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-06 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (3.14000177 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4MHF
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21 | | Descriptor: | TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-29 | | Release date: | 2013-09-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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5BQN
 | | Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Botulinum neurotoxin type D,Botulinum neurotoxin type D | | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2015-05-29 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors.
Sci Rep, 5, 2015
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1YW2
 | | Mutated Mus Musculus P38 Kinase (mP38) | | Descriptor: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | | Authors: | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | | Deposit date: | 2005-02-16 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
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4LUH
 | | Complex of ovine serum albumin with 3,5-diiodosalicylic acid | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-hydroxybutanedioic acid, 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ... | | Authors: | Bujacz, A, Talaj, J.A, Pietrzyk, A.J, Bujacz, G. | | Deposit date: | 2013-07-25 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
To be Published
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1LF3
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | | Descriptor: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1ZGP
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4LYJ
 | | Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-31 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.927 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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5AO9
 | | The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-native | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A. | | Deposit date: | 2015-09-10 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
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1ZI4
 | | Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with H type II Trisaccharide | | Descriptor: | CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase, MERCURY (II) ION, ... | | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | | Deposit date: | 2005-04-26 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
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1KYR
 | | Crystal Structure of a Cu-bound Green Fluorescent Protein Zn Biosensor | | Descriptor: | COPPER (II) ION, Green Fluorescent Protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2002-02-05 | | Release date: | 2002-04-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural chemistry of a green fluorescent protein Zn biosensor.
J.Am.Chem.Soc., 124, 2002
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1ZJG
 | | 13mer-co | | Descriptor: | 5'-D(*AP*TP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*CP*A)-3', COBALT HEXAMMINE(III), ... | | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | | Deposit date: | 2005-04-28 | | Release date: | 2005-05-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site.
J.Mol.Biol., 349, 2005
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