6V8W
 
 | | CDYL2 chromodomain in complex with a synthetic peptide | | Descriptor: | Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-12 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
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7RE9
 | | TCR mimic antibody (Fab fragment) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain | | Authors: | Dasgupta, M, Baker, B.M. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
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7RE8
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7RE7
 | | TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ... | | Authors: | Dasgupta, M, Baker, B.M. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.547 Å) | | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
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5DWR
 | | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | | Descriptor: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | | Deposit date: | 2015-09-22 | | Release date: | 2015-11-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
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8GQE
 | | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
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5DG1
 | | Sugar binding protein - human galectin-2 | | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2015-08-27 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim.Biophys.Sin., 2016
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6SKC
 | | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3448330A | | Descriptor: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide, BENZAMIDINE, GLYCEROL, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-08-15 | | Release date: | 2019-09-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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8DK7
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5D2U
 | | Crystal structure of tPphA Variant - H39A | | Descriptor: | CALCIUM ION, Protein serin-threonin phosphatase | | Authors: | Su, J. | | Deposit date: | 2015-08-06 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
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3V3Q
 | | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
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5WPW
 | | Crystal structure of coconut allergen cocosin | | Descriptor: | 11S globulin isoform 1 | | Authors: | Jin, T, Zhang, Y. | | Deposit date: | 2016-11-21 | | Release date: | 2017-10-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Crystal Structure of Cocosin, A Potential Food Allergen from Coconut (Cocos nucifera)
J. Agric. Food Chem., 65, 2017
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6RUV
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8GO6
 | | Fungal immunomodulatory protein FIP-nha N39A | | Descriptor: | fungal immunomodulatory protein FIP-nha N39A | | Authors: | Liu, Y, Bastiaan-Net, S, Hoppenbrouwers, T, Li, Z, Wichers, H.J. | | Deposit date: | 2022-08-24 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.813 Å) | | Cite: | Glycosylation Contributes to Thermostability and Proteolytic Resistance of rFIP-nha ( Nectria haematococca ).
Molecules, 28, 2023
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8GO7
 | | Fungal immunomodulatory protein FIP-nha N5+39A | | Descriptor: | Fungal immunomodulatory protein FIP-nha | | Authors: | Liu, Y, Bastiaan-Net, S, Hoppenbrouwers, T, Li, Z, Wichers, H.J. | | Deposit date: | 2022-08-24 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Glycosylation Contributes to Thermostability and Proteolytic Resistance of rFIP-nha ( Nectria haematococca ).
Molecules, 28, 2023
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8GO5
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6SKD
 | | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A | | Descriptor: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-08-15 | | Release date: | 2019-09-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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4H2M
 | | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2012-09-12 | | Release date: | 2012-12-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4H3A
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7MK7
 | | Augmentor domain of augmentor-beta | | Descriptor: | ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-11-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.42815185 Å) | | Cite: | Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
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6V3N
 | | Crystal structure of CDYL2 in complex with H3K27me3 | | Descriptor: | ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-11-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
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6V2D
 | | Crystal Structure of chromodomain of CDYL2 in complex with inhibitor UNC3866 | | Descriptor: | Chromodomain Y-like protein 2, UNC3866, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-11-22 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
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4H2O
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8Y8E
 | | Structure of HCoV-HKU1C spike in the inactive-2up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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5EWS
 | | Sugar binding protein - human galectin-2 | | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2015-11-21 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
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