7X8H
 
 | | Crystal structure of AtHPPD-(+)-Usnic acid complex | | Descriptor: | (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2022-03-13 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
|
|
7X8E
 | | Crystal structure of PfHPPD-Y13287 complex | | Descriptor: | 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2022-03-12 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
|
|
7X8D
 | | Crystal structure of AtHPPD-phenylpyruvate complex | | Descriptor: | 3-PHENYLPYRUVIC ACID, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2022-03-12 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
|
|
7X8I
 | | Crystal structure of AtHPPD-Shikonin complex | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2022-03-13 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
|
|
5X5X
 | | Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, Fd chain of anti-osteocalcin antibody KTM219, ... | | Authors: | Komatsu, M, Dong, J, Ueda, H, Arai, R. | | Deposit date: | 2017-02-18 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
To be published
|
|
1XF7
 | | High Resolution NMR Structure of the Wilms' Tumor Suppressor Protein (WT1) Finger 3 | | Descriptor: | Wilms' Tumor Protein, ZINC ION | | Authors: | Lachenmann, M.J, Ladbury, J.E, Dong, J, Huang, K, Carey, P, Weiss, M.A. | | Deposit date: | 2004-09-14 | | Release date: | 2004-12-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Why zinc fingers prefer zinc: ligand-field symmetry and the hidden thermodynamics of metal ion selectivity
Biochemistry, 43, 2004
|
|
6TSK
 | | Beta-galactosidase in complex with L-ribose | | Descriptor: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-01-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TTE
 | | Beta-galactosidase in complex with PETG | | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TTI
 | | PKM2 in complex with Compound 6 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, DIMETHYL SULFOXIDE, Pyruvate kinase PKM, ... | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TSH
 | | Beta-galactosidase in complex with deoxygalacto-nojirimycin | | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-01-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TTH
 | | PKM2 in complex with L-threonine | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TTQ
 | | PKM2 in complex with Compound 10 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6TTF
 | | PKM2 in complex with Compound 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
|
|
6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | Deposit date: | 2019-08-13 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
|
|
1ON6
 | | Crystal structure of mouse alpha-1,4-N-acetylhexosaminotransferase (EXTL2) in complex with UDPGlcNAc | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ... | | Authors: | Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M. | | Deposit date: | 2003-02-27 | | Release date: | 2003-04-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
|
|
1ON8
 | | Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) with UDP and GlcUAb(1-3)Galb(1-O)-naphthalenelmethanol an acceptor substrate analog | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ... | | Authors: | Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M. | | Deposit date: | 2003-02-27 | | Release date: | 2003-04-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
|
|
1OMX
 | | Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2 | | Authors: | Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M. | | Deposit date: | 2003-02-26 | | Release date: | 2003-04-22 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
|
|
1OMZ
 | | crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) in complex with UDPGalNAc | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ... | | Authors: | Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M. | | Deposit date: | 2003-02-26 | | Release date: | 2003-04-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2),
a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
|
|
3K3Q
 | | Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain | | Descriptor: | Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain | | Authors: | Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C. | | Deposit date: | 2009-10-04 | | Release date: | 2010-02-23 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region.
J.Mol.Biol., 397, 2010
|
|
3T4F
 | | Crystal Structure of a KGE Collagen Mimetic Peptide at 1.68 A | | Descriptor: | collagen mimetic peptide | | Authors: | Fallas, J.A, Dong, J, Miller, M.D, Tao, Y.J, Hartgerink, J.D. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural insights into charge pair interactions in triple helical collagen-like proteins.
J.Biol.Chem., 287, 2012
|
|
3U29
 | | Crystal Structure of a KGD Collagen Mimetic Peptide at 2.0 A | | Descriptor: | collagen mimetic peptide | | Authors: | Fallas, J.A, Dong, J, Miller, M.D, Tao, Y.J, Hartgerink, J.D. | | Deposit date: | 2011-10-02 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into charge pair interactions in triple helical collagen-like proteins.
J.Biol.Chem., 287, 2012
|
|
3K8A
 | | Neisseria gonorrhoeae PriB | | Descriptor: | Putative primosomal replication protein | | Authors: | Lopper, M.E, Dong, J, George, N.P, Duckett, K.L, DeBeer, M.A. | | Deposit date: | 2009-10-14 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of Neisseria gonorrhoeae PriB reveals mechanistic differences among bacterial DNA replication restart pathways
Nucleic Acids Res., 38, 2010
|
|
5IMX
 | |
8HOW
 | | Crystal structure of AtHPPD-Y191052 complex | | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2022-12-11 | | Release date: | 2023-01-25 | | Last modified: | 2023-02-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
|
|
4M1K
 | |
