2POD
 
 | | Crystal structure of a member of enolase superfamily from Burkholderia pseudomallei K96243 | | Descriptor: | Mandelate racemase / muconate lactonizing enzyme, SODIUM ION | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Gilmore, J.M, Iizuka, M, Ozyurt, S, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-04-26 | | Release date: | 2007-06-05 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of a Member of Enolase Superfamily from Burkholderia Pseudomallei.
To be Published
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2W0C
 | | X-ray structure of the entire lipid-containing bacteriophage PM2 | | Descriptor: | CALCIUM ION, MAJOR CAPSID PROTEIN P2, PROTEIN 2, ... | | Authors: | Abrescia, N.G.A, Grimes, J.M, Kivela, H.M, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2008-08-13 | | Release date: | 2008-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (7 Å) | | Cite: | Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2
Mol.Cell, 31, 2008
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2VXY
 | | The structure of FTsZ from Bacillus subtilis at 1.7A resolution | | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity.
Science, 321, 2008
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2GL5
 | | Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium | | Descriptor: | GLYCEROL, MAGNESIUM ION, putative dehydratase protein | | Authors: | Patskovsky, Y, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Gerlt, J, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-04-04 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium Lt2
To be Published
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4IBG
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.413 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBB
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-08 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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1RUT
 | | Complex of LMO4 LIM domains 1 and 2 with the ldb1 LID domain | | Descriptor: | Fusion protein of Lmo4 protein and LIM domain-binding protein 1, ZINC ION | | Authors: | Deane, J.E, Ryan, D.P, Maher, M.J, Kwan, A.H.Y, Bacca, M, Mackay, J.P, Guss, J.M, Visvader, J.E, Matthews, J.M. | | Deposit date: | 2003-12-11 | | Release date: | 2004-10-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tandem LIM domains provide synergistic binding in the LMO4:Ldb1 complex
Embo J., 23, 2004
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2IJ9
 | | Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus | | Descriptor: | SULFATE ION, Uridylate kinase | | Authors: | Patskovsky, Y, Chen, R, Keefe, L.J, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-29 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus
To be Published
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4IBD
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4N71
 | | X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ | | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | | Authors: | Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E. | | Deposit date: | 2013-10-14 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.984 Å) | | Cite: | Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IBJ
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBI
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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2W22
 | | Activation Mechanism of Bacterial Thermoalkalophilic Lipases | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CALCIUM ION, ... | | Authors: | Carrasco-Lopez, C, Godoy, C, De Las Rivas, B, Fernandez-Lorente, G, Palomo, J.M, Guisan, J.M, Fernandez-Lafuente, R, Hermoso, J.A. | | Deposit date: | 2008-10-23 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Activation of bacterial thermoalkalophilic lipases is spurred by dramatic structural rearrangements.
J. Biol. Chem., 284, 2009
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4IBC
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.745 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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2IJQ
 | | Crystal structure of protein rrnAC1037 from Haloarcula marismortui, Pfam DUF309 | | Descriptor: | Hypothetical protein | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-30 | | Release date: | 2006-10-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of the hypothetical Protein from Haloarcula marismortui
To be Published
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1U5M
 | | Structure of a Chordin-like Cysteine-rich Repeat (VWC module) from Collagen IIA | | Descriptor: | alpha 1 type II collagen isoform 1 | | Authors: | O'Leary, J.M, Hamilton, J.m, Deane, C.M, Valeyev, N.V, Sandell, L.J, Downing, A.K. | | Deposit date: | 2004-07-28 | | Release date: | 2004-10-05 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a prototypical chordin-like cysteine-rich repeat (von Willebrand Factor type C module) from collagen IIA
J.Biol.Chem., 279, 2004
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7AD6
 | | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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7AD7
 | | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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4B99
 | | Crystal Structure of MAPK7 (ERK5) with inhibitor | | Descriptor: | 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7 | | Authors: | Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor.
J.Med.Chem., 56, 2013
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4EJF
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7K14
 | | Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate | | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | | Deposit date: | 2020-09-07 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
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7JYB
 | | Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | | Deposit date: | 2020-08-30 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
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1ZEG
 | | STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL | | Descriptor: | CHLORIDE ION, INSULIN, PHENOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-05-01 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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7JW9
 | | Ternary cocrystal structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens | | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, SODIUM ION, ... | | Authors: | Liew, J.J.M, Dowling, D.P. | | Deposit date: | 2020-08-25 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
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7K64
 | | Binary titrated soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liew, J.J.M, Dowling, D.P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer.
J.Biol.Chem., 297, 2021
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