8OV7
 
 | | Crystal structure of D1228V c-MET bound by compound 10 | | Descriptor: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-25 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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6ZWR
 | | p38a bound with SR92 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7QUZ
 | | Crystal structure of the SeMet octameric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H | | Descriptor: | Beta-1,3-glucanase bglH, CHLORIDE ION, GLYCEROL | | Authors: | Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. | | Deposit date: | 2022-01-19 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Bacillus circulans IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
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7QCL
 | | Structure of the MUCIN-2 Cterminal domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ... | | Authors: | Gallego, P, Hansson, G.C. | | Deposit date: | 2021-11-24 | | Release date: | 2023-03-08 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins.
Nat Commun, 14, 2023
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7QCN
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6ZWP
 | | p38a bound with SR348 | | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-28 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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5YMR
 | | The Crystal Structure of IseG | | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | | Deposit date: | 2017-10-22 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
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7B43
 | | Crystal structure of c-MET bound by compound 9 | | Descriptor: | 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3Z
 | | Crystal structure of c-MET bound by compound 5 | | Descriptor: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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6Y4X
 | | Crystal structure of p38 in complex with SR72 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7S0P
 | | Crystal structure of Porcine Factor VIII C2 Domain Bound to Phosphatidylserine | | Descriptor: | Coagulation factor VIII, PHOSPHOSERINE | | Authors: | Peters, S.C, Childers, K.C, Wo, S.W, Brison, C.M, Swanson, C.D, Spiegel, P.C. | | Deposit date: | 2021-08-30 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Stable binding to phosphatidylserine-containing membranes requires conserved arginine residues in tandem C domains of blood coagulation factor VIII.
Front Mol Biosci, 9, 2022
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7BBT
 | | Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane | | Descriptor: | 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ... | | Authors: | Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B. | | Deposit date: | 2020-12-18 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.023 Å) | | Cite: | Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21, 2021
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7PKB
 | | C-reactive protein pentamer at pH 7.5 | | Descriptor: | C-reactive protein, CALCIUM ION | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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7PKF
 | | C-reactive protein decamer at pH 5 | | Descriptor: | C-reactive protein, CALCIUM ION | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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6NXK
 | | Ubiquitin binding variants | | Descriptor: | Anaphase-promoting complex subunit 2, Polyubiquitin-C | | Authors: | Miller, D.J, Watson, E.R. | | Deposit date: | 2019-02-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7PKD
 | | C-reactive protein decamer at pH 7.5 with phosphocholine ligand | | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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7PKE
 | | C-reactive protein pentamer at pH 7.5 with phosphocholine ligand | | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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7PKH
 | | C-reactive protein decamer at pH 5 with phosphocholine ligand | | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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7PKG
 | | C-reactive protein pentamer at pH 5 | | Descriptor: | C-reactive protein, CALCIUM ION | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2021-08-25 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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6XVN
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6XVO
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7PVX
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6Y38
 | | Crystal structure of Whirlin PDZ3 in complex with Myosin 15a C-terminal PDZ binding motif peptide | | Descriptor: | Chains: C,D, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-02-17 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6YEN
 | | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.418 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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6YJC
 | | Crystal structure of p38alpha in complex with SR154 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-02 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74100935 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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