5E0R
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![BU of 5e0r by Molmil](/molmil-images/mine/5e0r) | |
5EPB
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![BU of 5epb by Molmil](/molmil-images/mine/5epb) | |
5F3A
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![BU of 5f3a by Molmil](/molmil-images/mine/5f3a) | |
5F36
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8WQM
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![BU of 8wqm by Molmil](/molmil-images/mine/8wqm) | Complex structure of AtHPPD with Atovaquone | Descriptor: | 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2023-10-11 | Release date: | 2024-03-13 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Complex structure of AtHPPD with Atovaquone To Be Published
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5X5X
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![BU of 5x5x by Molmil](/molmil-images/mine/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
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4MYU
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![BU of 4myu by Molmil](/molmil-images/mine/4myu) | |
4MYT
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![BU of 4myt by Molmil](/molmil-images/mine/4myt) | |
6TTE
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![BU of 6tte by Molmil](/molmil-images/mine/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
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6TTI
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![BU of 6tti by Molmil](/molmil-images/mine/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
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6TSH
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![BU of 6tsh by Molmil](/molmil-images/mine/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
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6TTH
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![BU of 6tth by Molmil](/molmil-images/mine/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
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6TTQ
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![BU of 6ttq by Molmil](/molmil-images/mine/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
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6TSK
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![BU of 6tsk by Molmil](/molmil-images/mine/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
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6TTF
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![BU of 6ttf by Molmil](/molmil-images/mine/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
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8HOW
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![BU of 8how by Molmil](/molmil-images/mine/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
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6U07
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![BU of 6u07 by Molmil](/molmil-images/mine/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
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3K3Q
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![BU of 3k3q by Molmil](/molmil-images/mine/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
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1ON8
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![BU of 1on8 by Molmil](/molmil-images/mine/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
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1OMZ
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![BU of 1omz by Molmil](/molmil-images/mine/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
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4HK4
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![BU of 4hk4 by Molmil](/molmil-images/mine/4hk4) | Crystal structure of apo Tyrosine-tRNA ligase mutant protein | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine--tRNA ligase | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | Deposit date: | 2012-10-15 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Crystal structure of apo Tyrosine-tRNA ligase mutant protein To be Published
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4HPW
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![BU of 4hpw by Molmil](/molmil-images/mine/4hpw) | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine | Descriptor: | 3-methoxy-L-tyrosine, Tyrosine--tRNA ligase | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | Deposit date: | 2012-10-24 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine To be Published
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1OMX
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![BU of 1omx by Molmil](/molmil-images/mine/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
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1ON6
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![BU of 1on6 by Molmil](/molmil-images/mine/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
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1XF7
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![BU of 1xf7 by Molmil](/molmil-images/mine/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
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