7Z70
 
 | |
4B94
 | | Crystal structure of human Mps1 TPR domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, DUAL SPECIFICITY PROTEIN KINASE TTK, GLYCEROL, ... | | Authors: | Littler, D, von Castelmur, E, De Marco, V, Perrakis, A. | | Deposit date: | 2012-08-31 | | Release date: | 2013-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Tpr Domain-Containing N-Terminal Module of Mps1 is Required for its Kinetochore Localization by Aurora B.
J.Cell Biol., 201, 2013
|
|
4BA9
 | | The structural basis for the coordination of Y-family Translesion DNA Polymerases by Rev1 | | Descriptor: | DNA POLYMERASE KAPPA, DNA REPAIR PROTEIN REV1, MAGNESIUM ION, ... | | Authors: | Grummitt, C.G, Kilkenny, M.L, Frey, A, Roe, S.M, Oliver, A.W, Sale, J.E, Pearl, L.H. | | Deposit date: | 2012-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Structural Basis for the Coordination of Y- Family Translesion DNA Polymerases by Rev1
To be Published
|
|
4C4F
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
|
|
4C4H
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
|
|
7ZAN
 | |
7ZA1
 | | GPC3-Unc5D octamer structure and role in cell migration | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
|
|
4BWO
 | | The FedF adhesin from entrrotoxigenic Escherichia coli is a sulfate- binding lectin | | Descriptor: | BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION | | Authors: | Lonardi, E, Moonens, K, Buts, L, de Boer, A.R, Olsson, J.D.M, Weiss, M.S, Fabre, E, Guerardel, Y, Deelder, A.M, Oscarson, S, Wuhrer, M, Bouckaert, J. | | Deposit date: | 2013-07-03 | | Release date: | 2013-08-28 | | Last modified: | 2014-05-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia Coli
Biology, 2, 2013
|
|
4C4E
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
|
|
4CB8
 | | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha | | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
|
|
2ZY4
 | | dodecameric L-aspartate beta-decarboxylase | | Descriptor: | CHLORIDE ION, L-aspartate beta-decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chen, H.-J, Ko, T.-P, Lee, C.-Y, Wang, N.-C, Wang, A.H.-J. | | Deposit date: | 2009-01-13 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure, Assembly, and Mechanism of a PLP-Dependent Dodecameric l-Aspartate beta-Decarboxylase
Structure, 17, 2009
|
|
3COT
 | | Crystal structure of human liver delta(4)-3-ketosteroid 5beta-reductase (akr1d1) in complex with progesterone and nadp. Resolution: 2.03 A. | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-03-29 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
|
|
9ICX
 | | DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA (NON GAPPED DNA ONLY) | | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ... | | Authors: | Pelletier, H, Sawaya, M.R. | | Deposit date: | 1996-10-24 | | Release date: | 1996-11-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
|
|
9ASY
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
|
|
8X1C
 | | Structure of nucleosome-bound SRCAP-C in the ADP-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y. | | Deposit date: | 2023-11-06 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
|
|
8XJO
 | | U46619 bound Thromboxane A2 receptor-Gq Protein Complex | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | | Authors: | Zhang, X, Li, X, Liu, G, Gong, W. | | Deposit date: | 2023-12-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
|
|
6M5W
 | | Co-crystal structure of human serine hydroxymethyltransferase 1 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ota, T, Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K, Sando, S. | | Deposit date: | 2020-03-11 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for selective inhibition of human serine hydroxymethyltransferase by secondary bile acid conjugate.
Iscience, 24, 2021
|
|
8X19
 | | Structure of nucleosome-bound SRCAP-C in the ADP-BeFx-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y. | | Deposit date: | 2023-11-06 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
|
|
8XJN
 | | Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex | | Descriptor: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ... | | Authors: | Zhang, X, Li, X, Liu, G, Gong, W. | | Deposit date: | 2023-12-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
|
|
8ZCJ
 | | Cryo-EM structure of the pasireotide-bound SSTR5-Gi complex | | Descriptor: | 004-DTR-LYS-TYR-PHA-HYP, Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural insights into somatostatin receptor 5 bound with cyclic peptides.
Acta Pharmacol.Sin., 2024
|
|
8VU7
 | |
9ATG
 | | Crystal structure of MERS 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
|
|
9ATJ
 | | Crystal structure of MERS 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
|
|
9ATS
 | | Crystal structure of MERS 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | Descriptor: | (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-27 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
|
|
9ASW
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
|
|
