5N53
 
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide | | Descriptor: | D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-02-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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5MX5
 | | Mouse PA28alpha-beta | | Descriptor: | PHOSPHATE ION, Proteasome activator complex subunit 1, Proteasome activator complex subunit 2 | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2017-01-20 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex.
Structure, 25, 2017
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5LX7
 | | Cys-Gly dipeptidase GliJ mutant D38N | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2016-09-20 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5LRQ
 | | BRD4 in complex with ERK5 inhibitor XMD8-92 | | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Martin, M.P, Noble, M.E.M. | | Deposit date: | 2016-08-19 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
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5LTT
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5LX1
 | | Cys-Gly dipeptidase GliJ mutant D304A | | Descriptor: | Dipeptidase, FE (III) ION, GLYCEROL | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2016-09-19 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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7NGB
 | | Structure of Wild-Type Human Potassium Chloride Transporter KCC3 in NaCl (LMNG/CHS) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-02-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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5NJF
 | | E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALA-ALA-ALA-ALA-ALA, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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5NJB
 | | E. coli Microcin-processing metalloprotease TldD/E with actinonin bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACTINONIN, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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5NJC
 | | E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Metalloprotease PmbA, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | Deposit date: | 2017-03-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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5LX0
 | | Cys-Gly dipeptidase GliJ (space group P3221) | | Descriptor: | Dipeptidase, FE (III) ION | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2016-09-19 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5LYN
 | | Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment | | Descriptor: | PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION | | Authors: | Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L. | | Deposit date: | 2016-09-28 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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5N6C
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate | | Descriptor: | D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
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5L5S
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5L5Y
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5L6A
 | | Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2016-05-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
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5LGV
 | | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | | Deposit date: | 2016-07-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
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5NRU
 | | Cys-Gly dipeptidase GliJ in complex with Zn2+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, ZINC ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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5NJA
 | | E. coli Microcin-processing metalloprotease TldD/E with angiotensin analogue bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HIS-PRO-PHE, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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5NRY
 | | Cys-Gly dipeptidase GliJ in complex with Fe3+ | | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, FE (III) ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
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7KRK
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6GU4
 | | CDK1/CyclinB/Cks2 in complex with CGP74514A | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GUH
 | | CDK2 in complex with AZD5438 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GUO
 | | Siderophore hydrolase EstA from Aspergillus nidulans | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative siderophore-degrading esterase (Eurofung), ... | | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | | Deposit date: | 2018-06-19 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
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