3J4A
 
 | | Structure of gp8 connector protein | | Descriptor: | Head-to-tail joining protein | | Authors: | Cuervo, A, Pulido-Cid, M, Chagoyen, M, Arranz, R, Gonzalez-Garcia, V.A, Garcia-Doval, C, Caston, J.R, Valpuesta, J.M, van Raaij, M.J, Martin-Benito, J, Carrascosa, J.L. | | Deposit date: | 2013-07-09 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structural characterization of the bacteriophage t7 tail machinery.
J.Biol.Chem., 288, 2013
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3J3Y
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3OLN
 | | Crystal structure of the SRA domain of E3 ubiquitin-protein ligase UHRF2 | | Descriptor: | E3 ubiquitin-protein ligase UHRF2 | | Authors: | Walker, J.R, Xue, S, Avvakumov, G.V, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-26 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Set and Ring Associated (SRA) domain of human ubiquitin-like containing PHD and RING finger domains 2 (UHRF2)
To be Published
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3J4F
 | | Structure of HIV-1 capsid protein by cryo-EM | | Descriptor: | capsid protein | | Authors: | Zhao, G, Perilla, J.R, Meng, X, Schulten, K, Zhang, P. | | Deposit date: | 2013-07-11 | | Release date: | 2013-07-24 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
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3KV6
 | | Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | | Deposit date: | 2009-11-29 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
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5DJ6
 | | Fc Heterodimer Design 6.1 F405W/Y407A + T366M | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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3PUS
 | | PHF2 Jumonji-NOG-Ni(II) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-OXALYLGLYCINE, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2010-12-06 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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3L1Y
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3KRY
 | | Crystal structure of MMP-13 in complex with SC-78080 | | Descriptor: | 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ... | | Authors: | Kiefer, J.R, Williams, J.M, Becker, D.P. | | Deposit date: | 2009-11-19 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease
J.Med.Chem., 53, 2010
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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5BKD
 | | Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate | | Descriptor: | (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5DJ8
 | | Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5DJC
 | | Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F | | Descriptor: | Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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3HV6
 | | Human p38 MAP Kinase in Complex with RL39 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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3PTK
 | | The crystal structure of rice (Oryza sativa L.) Os4BGlu12 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase Os4BGlu12, ZINC ION | | Authors: | Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R. | | Deposit date: | 2010-12-03 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Arch.Biochem.Biophys., 510, 2011
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3PU8
 | | PHF2 Jumonji-NOG-Fe(II) complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2010-12-03 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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3HV3
 | | Human p38 MAP Kinase in Complex with RL49 | | Descriptor: | 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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3PTR
 | | PHF2 Jumonji domain | | Descriptor: | 1,2-ETHANEDIOL, PHD finger protein 2 | | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2010-12-03 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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3PUA
 | | PHF2 Jumonji-NOG-Ni(II) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-OXALYLGLYCINE, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2010-12-03 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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3I0N
 | | Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain | | Descriptor: | DNA repair and telomere maintenance protein nbs1, GLYCEROL | | Authors: | Clapperton, J.A, Lloyd, J, Chapman, J.R, Jackson, S.P, Smerdon, S.J. | | Deposit date: | 2009-06-25 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage
Cell(Cambridge,Mass.), 139, 2009
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5CT5
 | | Wild-type Bacillus subtilis lipase A with 10% [BMIM][Cl] | | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, SULFATE ION, ... | | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure.
Chembiochem, 16, 2015
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3LQ6
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3L8S
 | | Human p38 MAP Kinase in Complex with CP-547632 | | Descriptor: | 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2010-01-03 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
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3MO5
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 | | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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5DK2
 | | Fc Heterodimer E356K/D399K + K392D/K409D | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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