3PFX
 
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.2616 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose
TO BE PUBLISHED
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7U1P
 | | RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | | Deposit date: | 2022-02-21 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
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3PFZ
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.0993 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
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3BE1
 | | Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Fragment-Heavy Chain, ... | | Authors: | Bostrom, J.M, Wiesmann, C, Appleton, B.A. | | Deposit date: | 2007-11-15 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
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4ZNI
 | | Thermus Phage P74-26 Large Terminase ATPase domain (I 2 3 space group) | | Descriptor: | Phage terminase large subunit, SULFATE ION | | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Sankaran, B, Kelch, B.A. | | Deposit date: | 2015-05-04 | | Release date: | 2015-07-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZNL
 | | Thermus Phage P74-26 Large Terminase ATPase domain bound to ADP Beryllium Fluoride | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | | Deposit date: | 2015-05-04 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.068 Å) | | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5DVA
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4Z84
 | | PKAB3 in complex with pyrrolidine inhibitor 34a | | Descriptor: | 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Lund, B.A, Alam, K.A, Engh, R.A. | | Deposit date: | 2015-04-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
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3DBR
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3DPL
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5DTS
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5E0U
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7TFF
 | | Crystal structure of human platelet phosphofructokinase-1 mutant- D564N | | Descriptor: | ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ... | | Authors: | Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S. | | Deposit date: | 2022-01-06 | | Release date: | 2023-07-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity.
Biochem.J., 480, 2023
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6DJQ
 | | Vps1 GTPase-BSE fusion complexed with GDP.AlF4- | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Varlakhanova, N.V, Brady, T.M, Tornabene, B.A, Hosford, C.J, Chappie, J.S, Ford, M.G.J. | | Deposit date: | 2018-05-25 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
J. Cell Biol., 217, 2018
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7TIM
 | | STRUCTURE OF THE TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX: AN ANALOGUE OF THE INTERMEDIATE ON THE REACTION PATHWAY | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Davenport, R.C, Bash, P.A, Seaton, B.A, Karplus, M, Petsko, G.A, Ringe, D. | | Deposit date: | 1991-04-23 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway.
Biochemistry, 30, 1991
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4ZNJ
 | | Thermus Phage P74-26 Large Terminase ATPase domain mutant R139A (I 2 3 space group) | | Descriptor: | Phage terminase large subunit, SULFATE ION | | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | | Deposit date: | 2015-05-04 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.532 Å) | | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5DN5
 | | Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ | | Descriptor: | CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ... | | Authors: | Zaloba, P, Bailey-Elkin, B.A, Mark, B.L. | | Deposit date: | 2015-09-09 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
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4Z83
 | | PKAB3 in complex with pyrrolidine inhibitor 47a | | Descriptor: | 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Lund, B.A, Alam, K.A, Engh, R.A. | | Deposit date: | 2015-04-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
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5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.60000241 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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5E0T
 | | Human PCNA mutant - S228I | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Duffy, C.M, Hilbert, B.J, Kelch, B.A. | | Deposit date: | 2015-09-29 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6653 Å) | | Cite: | A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
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6CCK
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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6CCQ
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4ZNK
 | | Thermus Phage P74-26 Large Terminase ATPase domain from (P 32 2 1 space group) | | Descriptor: | Phage terminase large subunit, SULFATE ION | | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | | Deposit date: | 2015-05-04 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6CHL
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHQ
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Descriptor: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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