7N9G
 
 | | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | | Authors: | Miller, D.J, Xie, T. | | Deposit date: | 2021-06-17 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase.
J.Mol.Biol., 434, 2022
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7SJX
 | | Cryo-EM Structure of the PR-RT components of the HIV-1 Pol Polyprotein | | Descriptor: | Gag-Pol polyprotein | | Authors: | Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.K, Ruiz, F.X. | | Deposit date: | 2021-10-19 | | Release date: | 2022-07-27 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation.
Sci Adv, 8, 2022
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8CJV
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6UVP
 | | BACE-1 in complex with compound #3 | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide, ... | | Authors: | Hendle, J, Timm, D.E. | | Deposit date: | 2019-11-04 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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8P4W
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4XVS
 | | Crystal structure of HIV-1 donor 45 d45-01dG5 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 Light chain, Donor 45 01dG5 coreE gp120, ... | | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2015-01-27 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
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7PJI
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7AKX
 | | Crystal structure of the viral rhodopsin OLPVR1 in P1 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | Deposit date: | 2020-10-02 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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7POC
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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7PPX
 | | ATAD2 in complex with FragLite3 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7T39
 | | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
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5EVM
 | | Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ... | | Authors: | Xu, K, Nikolov, D.B. | | Deposit date: | 2015-11-20 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.367 Å) | | Cite: | Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
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6V3K
 | | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | | Authors: | Lyumkis, D, Jozwik, I.K, Passos, D. | | Deposit date: | 2019-11-25 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
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7N8U
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8EZJ
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6M8M
 | | PA14 sugar-binding domain from RTX adhesin | | Descriptor: | CALCIUM ION, Putative large adhesion protein (Lap) involved in biofilm formation, SODIUM ION, ... | | Authors: | Vance, T.D.R, Conroy, B, Davies, P.L. | | Deposit date: | 2018-08-22 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure and functional analysis of a bacterial adhesin sugar-binding domain.
Plos One, 14, 2019
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6P4C
 | | HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F | | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7NMD
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8F47
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8F65
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5M7R
 | | Structure of human O-GlcNAc hydrolase | | Descriptor: | Protein O-GlcNAcase | | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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8P6H
 | | Bovine naive ultralong antibody AbBLV5B8* collected at 100K | | Descriptor: | Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-05-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2023
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8P2T
 | | Bovine naive ultralong antibody AbD08* collected at 100K | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Antibody D08* heavy chain, Antibody D08* light chain, ... | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-05-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2024
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8ENW
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