6QHB
 
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK578724A | | Descriptor: | GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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5KZP
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8TC9
 | | Human asparaginyl-tRNA synthetase bound to OSM-S-106 | | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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8TC8
 | | Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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8TC7
 | | Human asparaginyl-tRNA synthetase, apo form | | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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5M4N
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ... | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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5EWS
 | | Sugar binding protein - human galectin-2 | | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2015-11-21 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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6RUR
 | | Structure of the SCIN stabilized C3bBb convertase bound to properdin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ... | | Authors: | Pedersen, D.V, Gadeberg, T.A.F, Andersen, G.R. | | Deposit date: | 2019-05-29 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
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6RUS
 | | Structure of a functional properdin monomer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, SULFATE ION, ... | | Authors: | Pedersen, D.V, Andersen, G.R. | | Deposit date: | 2019-05-29 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
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3Q7G
 | | Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1 in complex with SOS (sucrose octasulfate) | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Amyloid-like protein 1 | | Authors: | Xue, Y, Ha, Y. | | Deposit date: | 2011-01-04 | | Release date: | 2011-06-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011
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6RUV
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5LRN
 | | Structure of mono-zinc MCR-1 in P21 space group | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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4X9Z
 | | Dimeric conotoxin alphaD-GeXXA | | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | | Deposit date: | 2014-12-12 | | Release date: | 2015-12-02 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
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5M4H
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | Heat shock protein HSP 90-alpha, SULFATE ION, [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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5M4M
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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5M4P
 | | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | | Authors: | Baker, L.M, Brough, P, Surgenor, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
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5M4E
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6QHA
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B | | Descriptor: | GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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4O1I
 | | Crystal Structure of the regulatory domain of MtbGlnR | | Descriptor: | Transcriptional regulatory protein | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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6QFG
 | | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144 | | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
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4O1H
 | | Crystal Structure of the regulatory domain of AmeGlnR | | Descriptor: | Transcription regulator GlnR | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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7JMN
 | | Tail module of Mediator complex | | Descriptor: | MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ... | | Authors: | Zhang, H.Q, Chen, D.C. | | Deposit date: | 2020-08-02 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Mediator structure and conformation change.
Mol.Cell, 81, 2021
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5D2U
 | | Crystal structure of tPphA Variant - H39A | | Descriptor: | CALCIUM ION, Protein serin-threonin phosphatase | | Authors: | Su, J. | | Deposit date: | 2015-08-06 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
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5DG2
 | | Sugar binding protein - human galectin-2 (dimer) | | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2015-08-27 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.612 Å) | | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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5TKK
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