5MFT
 
 | | The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one | | Descriptor: | Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
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5MGU
 | | Kinetic and Structural Changes in HsmtPheRS, Induced by Pathogenic Mutations in Human FARS2 | | Descriptor: | PHENYLALANINE, Phenylalanine--tRNA ligase, mitochondrial | | Authors: | Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2.
Protein Sci., 26, 2017
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5MNF
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5MNM
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5UM3
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5MOE
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5MOR
 | | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine | | Descriptor: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | | Cite: | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
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5MLQ
 | | Structure of CDPS from Nocardia brasiliensis | | Descriptor: | CDPS, CITRIC ACID | | Authors: | Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E. | | Deposit date: | 2016-12-07 | | Release date: | 2018-05-02 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J.Struct.Biol., 203, 2018
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5GRL
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5GJ7
 | | putative Acyl-CoA dehydrogenase | | Descriptor: | Acyl-CoA dehydrogenase type 2 domain protein | | Authors: | Moon, H, Choe, J. | | Deposit date: | 2016-06-28 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Putative Acyl CoA dehydrogenase
To Be Published
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5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2017-01-09 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5QGL
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000275a | | Descriptor: | 3,4,5-trimethoxybenzoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-05-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5G3M
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | | Deposit date: | 2016-04-29 | | Release date: | 2016-09-14 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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5QGX
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000155 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-05-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QHA
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102951 | | Descriptor: | ACETATE ION, N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide, Peroxisomal coenzyme A diphosphatase NUDT7 | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-09-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5GM9
 | | Crystal structure of a glycoside hydrolase in complex with cellobiose | | Descriptor: | Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-07-13 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
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5GAS
 | | Thermus thermophilus V/A-ATPase, conformation 2 | | Descriptor: | Archaeal/vacuolar-type H+-ATPase subunit I, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Schep, D.G, Zhao, J, Rubinstein, J.L. | | Deposit date: | 2016-02-05 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Models for the a subunits of the Thermus thermophilus V/A-ATPase and Saccharomyces cerevisiae V-ATPase enzymes by cryo-EM and evolutionary covariance.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5GHE
 | | Crystal Structure of Bacillus thuringiensis Cry6Aa2 Protoxin | | Descriptor: | Pesticidal crystal protein Cry6Aa | | Authors: | Huang, J, Guan, Z, Zou, T, Sun, M, Yin, P. | | Deposit date: | 2016-06-19 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Crystal structure of Cry6Aa: A novel nematicidal ClyA-type alpha-pore-forming toxin from Bacillus thuringiensis
Biochem.Biophys.Res.Commun., 478, 2016
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5MWG
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-01-18 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5MWT
 | | Galectin-1 in Complex with Ligand JB97 | | Descriptor: | BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ... | | Authors: | Grimm, C, Bechold, J. | | Deposit date: | 2017-01-19 | | Release date: | 2018-02-14 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.711 Å) | | Cite: | Structural insights into the redesign of a sucrose phosphorylase by induced loop repositioning
To Be Published
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5GN8
 | | Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | | Descriptor: | CALCIUM ION, Ferritin heavy chain | | Authors: | Zhang, S, Zang, J, Zhao, G, Mikami, B. | | Deposit date: | 2016-07-19 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | "Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages
ACS Nano, 10, 2016
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6E31
 | | Crystal structure of RIAM in an autoinhibited configuration. | | Descriptor: | Rap1-interacting adapter molecule | | Authors: | Chang, Y.C, Su, W, Zhang, H, Huang, Q, Philips, M.R, Wu, J. | | Deposit date: | 2018-07-12 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5GND
 | | Structure of Deg protease HhoA from Synechocystis sp. PCC 6803 | | Descriptor: | Putative serine protease HhoA, SODIUM ION, UNK-UNK-UNK-UNK-TRP, ... | | Authors: | Dong, W, Wang, J, Liu, L. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the zinc-bound HhoA protease from Synechocystis sp. PCC 6803
Febs Lett., 590, 2016
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6E37
 | | O-GlcNAc Transferase in complex with covalent inhibitor | | Descriptor: | (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN | | Authors: | Li, H, Jiang, J. | | Deposit date: | 2018-07-13 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.531 Å) | | Cite: | Targeted covalent inhibition of O-GlcNAc transferase in cells.
Chem.Commun.(Camb.), 55, 2019
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5GIS
 | | Crystal structure of a Fab fragment with its ligand peptide | | Descriptor: | Heavy chain of Fab fragment, Light chain of Fab fragment, SULFATE ION, ... | | Authors: | Kitago, Y, Kaneko, K.K, Ogasawara, S, Kato, Y, Takagi, J. | | Deposit date: | 2016-06-24 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for multi-specific peptide recognition by the anti-IDH1/2 monoclonal antibody, MsMab-1.
Biochem. Biophys. Res. Commun., 478, 2016
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