6ING
 
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6ISC
 | | complex structure of mCD226-ecto and hCD155-D1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, Poliovirus receptor | | Authors: | Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F. | | Deposit date: | 2018-11-16 | | Release date: | 2018-12-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8XLS
 | | PSI-FCPI of the diatom Thalassiosira pseudonana CCMP1335 | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Kato, K, Nakajima, Y, Shen, J.R, Nagao, R. | | Deposit date: | 2023-12-26 | | Release date: | 2024-10-30 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis for molecular assembly of fucoxanthin chlorophyll a / c -binding proteins in a diatom photosystem I supercomplex.
Elife, 13, 2024
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6V0Q
 | | Crystal structure of the bromodomain of human BRD7 bound to TG003 | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | | Deposit date: | 2019-11-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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9IHT
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein | | Authors: | Zhu, Z.M, Wang, W.W, Yu, F. | | Deposit date: | 2024-06-18 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
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9IHW
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9II0
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6VHO
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2FHF
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with maltotetraose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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6JBN
 | | Crystal structure of Sphingomonas sp. A1 peroxidase EfeB responsible for import of iron | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, OXYGEN MOLECULE, ... | | Authors: | Okumura, K, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2019-01-26 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rare metal binding by a cell-surface component of bacterial EfeUOB iron importer
To Be Published
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8Y5V
 | | GII.4 Sydney PD and 2'-FL | | Descriptor: | 1,2-ETHANEDIOL, GII.4 Sydney PD in complex with 2'-FL (powder), alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | | Deposit date: | 2024-02-01 | | Release date: | 2024-06-19 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Human milk oligosaccharide 2'-fucosyllactose guards norovirus histo-blood group antigen co-factor binding site.
J.Virol., 98, 2024
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8YIE
 | | Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase | | Authors: | Saburi, W, Tagami, T, Yu, J, Ose, T, Yao, M, Mori, H. | | Deposit date: | 2024-02-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular mechanism for the substrate specificity of Arthrobacter globiformis M6 alpha-glucosidase CmmB, belonging to glycoside hydrolase family 13 subfamily 30
Food Biosci, 61, 2024
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4UVI
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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6J3O
 | | Crystal structure of the human PCAF bromodomain in complex with compound 12 | | Descriptor: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | | Authors: | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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6I79
 | | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase | | Authors: | Alen, J, Schade, M, Wagener, M, Blaesse, M. | | Deposit date: | 2018-11-16 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
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6IVC
 | | The full length of TGEV nsp1 | | Descriptor: | nsp1 protein | | Authors: | Shen, Z, Peng, G.Q. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
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9H8U
 | | FAD-dependent oxidase sorD with sorbicillin bound | | Descriptor: | (2~{Z})-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAD-linked oxidoreductase sorD, ... | | Authors: | Tjallinks, G, Mattevi, A. | | Deposit date: | 2024-10-29 | | Release date: | 2025-03-19 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Mechanistic Characterization of the Flavin-Dependent Monooxygenase and Oxidase Involved in Sorbicillinoid Biosynthesis.
Acs Chem.Biol., 20, 2025
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6ISA
 | | mCD226 | | Descriptor: | CD226 antigen | | Authors: | Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F. | | Deposit date: | 2018-11-16 | | Release date: | 2018-12-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ISB
 | | crystal structure of human CD226 | | Descriptor: | CD226 antigen | | Authors: | Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F. | | Deposit date: | 2018-11-16 | | Release date: | 2018-12-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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9II1
 | | GH57 family Amylopullulanase mutant E256L from Aquifex aeolicus in complex with maltohexaose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Zhu, Z.M, Wang, W.W, Yu, F. | | Deposit date: | 2024-06-18 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
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4UHW
 | | Human aldehyde oxidase | | Descriptor: | ALDEHYDE OXIDASE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Coelho, C, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2015-03-26 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
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6CXL
 | | anti-HIV-1 Fab 2G12 in complex with glycopeptide 10F5 | | Descriptor: | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose, anti-HIV-1 Fab 2G12 heavy chain, anti-HIV-1 Fab 2G12 light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-04-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.586 Å) | | Cite: | Oligomannose Glycopeptide Conjugates Elicit Antibodies Targeting the Glycan Core Rather than Its Extremities.
ACS Cent Sci, 5, 2019
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9IFP
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7VHC
 | | Crystal structure of the STX2a complexed with AR4A peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, inhibitor peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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6JNA
 | | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | | Authors: | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy.
Febs J., 287, 2020
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