2WYV
 
 | | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD-form | | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | | Deposit date: | 2009-11-20 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2WV9
 | | Crystal Structure of the NS3 protease-helicase from Murray Valley encephalitis virus | | Descriptor: | FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, FLAVIVIRIN PROTEASE NS3 CATALYTIC SUBUNIT | | Authors: | Assenberg, R, Mastrangelo, E, Walter, T.S, Verma, A, Milani, M, Owens, R.J, Stuart, D.I, Grimes, J.M, Mancini, E.J. | | Deposit date: | 2009-10-15 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of a Novel Conformational State of the Flavivirus Ns3 Protein: Implications for Polyprotein Processing and Viral Replication.
J.Virol., 83, 2009
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2WYU
 | | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form | | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, GLYCEROL, SODIUM ION | | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | | Deposit date: | 2009-11-20 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2WY8
 | | Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d | | Descriptor: | COMPLEMENT C3D FRAGMENT, GLYCEROL, IGG-BINDING PROTEIN | | Authors: | Clark, E.A, Crennell, S, Upadhyay, A, Mackay, J.D, Bagby, S, van den Elsen, J.M. | | Deposit date: | 2009-11-13 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Structural Basis for Staphylococcal Complement Subversion: X-Ray Structure of the Complement- Binding Domain of Staphylococcus Aureus Protein Sbi in Complex with Ligand C3D.
Mol.Immunol., 48, 2011
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6RZ5
 | | XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | | Authors: | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
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2X1E
 | | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid | | Descriptor: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACYL-COENZYME, CHLORIDE ION, ... | | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | | Deposit date: | 2009-12-23 | | Release date: | 2010-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
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8FOZ
 | | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; filament assembly interface reconstruction | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | O'Neill, A.G, Kollman, J.M. | | Deposit date: | 2023-01-03 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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8FUZ
 | | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; filament assembly interface reconstruction | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | O'Neill, A.G, Kollman, J.M. | | Deposit date: | 2023-01-18 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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6RVQ
 | | SaFtsz-GDP-EthGLy | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cell division protein FtsZ, ... | | Authors: | Fernandez-Tornero, C, Andreu, J.M. | | Deposit date: | 2019-05-31 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.136 Å) | | Cite: | Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Febs J., 287, 2020
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6RZ6
 | | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
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2XIK
 | | Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1) | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25 | | Authors: | Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
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2XB8
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid | | Descriptor: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | | Authors: | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2010-04-08 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
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6R3P
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2Y71
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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2YIA
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus | | Descriptor: | POTASSIUM ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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2Y76
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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2Y77
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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6RHN
 | | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT WITHOUT NUCLEOTIDE | | Descriptor: | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | | Deposit date: | 1997-02-27 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins.
Nat.Struct.Biol., 4, 1997
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6S8Y
 | | Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer | | Descriptor: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate, ACETATE ION, Cytochrome c iso-1, ... | | Authors: | Alex, J.M, Corvaglia, V, Hu, X, Engilberge, S, Huc, I, Crowley, P.B. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution.
Chem.Commun.(Camb.), 55, 2019
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2YI9
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus in complex with magnesium | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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2YKT
 | | Crystal structure of the I-BAR domain of IRSp53 (BAIAP2) in complex with an EHEC derived Tir peptide | | Descriptor: | BRAIN-SPECIFIC ANGIOGENESIS INHIBITOR 1-ASSOCIATED PROTEIN 2, SULFATE ION, TRANSLOCATED INTIMIN RECEPTOR PROTEIN | | Authors: | de Groot, J.C, Schlueter, K, Carius, Y, Quedenau, C, Vingadassalom, D, Faix, J, Weiss, S.M, Reichelt, J, Standfuss-Gabisch, C, Lesser, C.F, Leong, J.M, Heinz, D.W, Buessow, K, Stradal, T.E.B. | | Deposit date: | 2011-05-30 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural Basis for Complex Formation between Human Irsp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. Coli.
Structure, 19, 2011
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2Y6S
 | | Structure of an Ebolavirus-protective antibody in complex with its mucin-domain linear epitope | | Descriptor: | ENVELOPE GLYCOPROTEIN, HEAVY CHAIN, LIGHT CHAIN | | Authors: | Olal, D.O, Kuehne, A, Lee, J.E, Bale, S, Dye, J.M, Saphire, E.O. | | Deposit date: | 2011-01-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of an Ebola Virus-Protective Antibody in Complex with its Mucin-Domain Linear Epitope.
J.Virol., 86, 2012
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2YI8
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus | | Descriptor: | CHLORIDE ION, POTASSIUM ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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2YKK
 | | Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CEL44C, ... | | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | | Deposit date: | 2011-05-27 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
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2X7Q
 | | The conserved Candida albicans CA3427 gene product defines a new family of proteins exhibiting the generic periplasmic binding protein structural fold | | Descriptor: | CALCIUM ION, GLYCEROL, POSSIBLE THIAMINE BIOSYNTHESIS ENZYME | | Authors: | Santini, S, Monchois, V, Mouz, N, Rousselle, T, Claverie, J.M, Abergel, C. | | Deposit date: | 2010-03-03 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Conserved Candida Albicans Ca3427 Gene Product Defines a New Family of Proteins Exhibiting the Generic Periplasmic Binding Protein Structural Fold
Plos One, 6, 2011
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