7OW1
 
 | | Crystal Structure of TAP01 in complex with amyloid beta peptide | | Descriptor: | Amyloid-beta precursor protein, CITRATE ANION, TAP01 family antibody heavy chain, ... | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2021-06-16 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
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5CO6
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5TZH
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | | Descriptor: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ... | | Authors: | Xu, R, Aertgeerts, K. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
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6MMO
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8JV2
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5U11
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide | | Descriptor: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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7P4E
 | | Crystal structure of PPARgamma in complex with compound FL217 | | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | | Authors: | Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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6MMQ
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7UGW
 | | M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | | Descriptor: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | | Authors: | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | | Deposit date: | 2022-03-25 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Nat.Chem.Biol., 18, 2022
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7MU4
 | | Crystal Structure of HPV L1-directed D24.M01Fab | | Descriptor: | D24.M01 Fab Heavy Chain, D24.M01 Fab Light Chain, DI(HYDROXYETHYL)ETHER | | Authors: | Singh, S, Pancera, M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Characterisation of Immune Responses to HPV Vaccination
To Be Published
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5GS7
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8V2K
 | | Proteus vulgaris tryptophan indole-lyase complexed with L-alanine | | Descriptor: | (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, DIMETHYL SULFOXIDE, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2023-11-22 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Proteus vulgaris tryptophan indole-lyase complexed with L-alanine
To Be Published
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5TQZ
 | | Frutapin complexed with alpha-D-glucose | | Descriptor: | Frutapin, alpha-D-glucopyranose | | Authors: | Sousa, F.D, Guo, J, Coker, A.R, Monteiro-Moreira, A.C.O, Moreira, R.A. | | Deposit date: | 2016-10-25 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights.
Biosci. Rep., 37, 2017
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5CAV
 | | EGFR kinase domain with compound 41a | | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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8UZN
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8QT0
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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7OKV
 | | Crystal structure of soluble EPCR after exposure to the nonionic surfactant Polysorbate 20 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | | Authors: | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | Deposit date: | 2021-05-18 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
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8QT2
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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7OJ2
 | | Bacillus subtilis IMPDH in complex with Ap4A | | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION | | Authors: | Giammarinaro, P.I, Bange, G. | | Deposit date: | 2021-05-13 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis.
Nat Microbiol, 7, 2022
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8QOD
 | | CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR | | Descriptor: | 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2023-09-28 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Crystallography and molecular simulations capture S1 pocket
collapse in allosteric regulation of factor VIIa and other serine
proteases.
To be published
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8USK
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7OJ1
 | | Bacillus subtilis IMPDH in complex with Ap4A | | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION | | Authors: | Giammarinaro, P.I, Bange, G. | | Deposit date: | 2021-05-13 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis.
Nat Microbiol, 7, 2022
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7MNJ
 | | Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 145-673) | | Descriptor: | E3 SUMO-protein ligase RanBP2 | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Patke, A, Dasso, M, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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7YF5
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5TWZ
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-Y, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.631 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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