6OFR
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8AAA
| Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-06-30 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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6OBS
| PP1 Y134K | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | Deposit date: | 2019-03-21 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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8A8X
| TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ | Descriptor: | E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide | Authors: | Luptak, J. | Deposit date: | 2022-06-24 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing. Viruses, 14, 2022
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3HE6
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8AQK
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2258 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, SULFATE ION, Serine protease NS3, ... | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-12 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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8AQB
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2257 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, ACETATE ION, Serine protease NS3, ... | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-11 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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8AQA
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2260 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Serine protease NS3, Serine protease subunit NS2B | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-11 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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6OSP
| Crystal Structure Analysis of PIP4K2A | Descriptor: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-01 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors. Cell Chem Biol, 27, 2020
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6PLG
| Crystal structure of human PHGDH complexed with Compound 15 | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2019-06-30 | Release date: | 2019-07-24 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
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8AOK
| Complex of PD-L1 with VHH6 | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kang-Pettinger, T, Hall, G. | Deposit date: | 2022-08-08 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80. J.Biol.Chem., 299, 2023
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8AOM
| Complex of PD-L1 with VHH1 | Descriptor: | MAGNESIUM ION, Programmed cell death 1 ligand 1, VHH6 | Authors: | Kang-Pettinger, T, Hall, G. | Deposit date: | 2022-08-08 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80. J.Biol.Chem., 299, 2023
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6PBH
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8AM0
| Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | Deposit date: | 2022-08-02 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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6PA1
| Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 | Descriptor: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Moradi, S, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-06-11 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C. Nat Commun, 12, 2021
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6PAG
| Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02 | Descriptor: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Moradi, S, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-06-11 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C. Nat Commun, 12, 2021
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6PLF
| Crystal structure of human PHGDH complexed with Compound 1 | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2019-06-30 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
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3HR5
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3G3E
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1BU5
| X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX | Descriptor: | PROTEIN (FLAVODOXIN), RIBOFLAVIN, SULFATE ION | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Mccardle, P, Cunningham, P.D, Mayhew, S.G, Higgins, T.M. | Deposit date: | 1998-09-12 | Release date: | 1999-02-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | X-ray crystal structure of the Desulfovibrio vulgaris (Hildenborough) apoflavodoxin-riboflavin complex. Eur.J.Biochem., 258, 1998
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3INM
| Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | Deposit date: | 2009-08-12 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate. Nature, 462, 2009
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3IMX
| Crystal Structure of human glucokinase in complex with a synthetic activator | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | Authors: | Stams, T, Vash, B. | Deposit date: | 2009-08-11 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J.Med.Chem., 52, 2009
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7ZQ1
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205 | Descriptor: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-04-29 | Release date: | 2023-03-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7ZPD
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2293 | Descriptor: | 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-04-27 | Release date: | 2023-03-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7ZQF
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2206 | Descriptor: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Serine protease NS3, ... | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-04-29 | Release date: | 2023-03-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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