6SGD
 
 | | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | | Descriptor: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | | Deposit date: | 2019-08-04 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020
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5VU0
 | | Crystal structure of the complex between afucosylated/galactosylated human IgG1 Fc and Fc gamma receptor IIIa (CD16A) with Man5 N-glycans | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Subedi, G.S, Marcella, A.M, Barb, A.W. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Antibody Fucosylation Lowers the Fc gamma RIIIa/CD16a Affinity by Limiting the Conformations Sampled by the N162-Glycan.
ACS Chem. Biol., 13, 2018
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6SAU
 | | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance. | | 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)-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)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ... | | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | | Deposit date: | 2019-07-17 | | Release date: | 2019-10-23 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
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6SED
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB in complex with galactose | | Descriptor: | ACETATE ION, Beta-galactosidase, FORMIC ACID, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Kaminska, P, Bujacz, G. | | Deposit date: | 2019-07-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 20, 2019
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6VFR
 | | Crystal structure of human protocadherin 18 EC1-EC4 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Harrison, O.J, Brasch, J, Shapiro, L. | | Deposit date: | 2020-01-06 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
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5VMA
 | | Structure of B. pumilus GH48 in complex with a cellobio-derived isofagomine | | Descriptor: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside, 1,2-ETHANEDIOL, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2017-04-27 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bacillus pumilus family 48 glycoside hydrolase in complex with cellobio-derived isofagomine
To Be Published
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7YVB
 | | Aplysia californica FaNaC in ligand bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FMRFamide-gated Na+ channel, ... | | Authors: | Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S. | | Deposit date: | 2022-08-19 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
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7YQS
 | | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-03-27 | | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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7YVC
 | | Aplysia californica FaNaC in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S. | | Deposit date: | 2022-08-19 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
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7YPZ
 | | Zafirlukast in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-08-05 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
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6V7Z
 | | Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Shahine, A, Rossjohn, J. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
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7Z3F
 | | Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form | | Descriptor: | ACETATE ION, AcoP, CHLORIDE ION, ... | | Authors: | Leone, P, Sciara, G, Ilbert, M. | | Deposit date: | 2022-03-02 | | Release date: | 2023-09-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
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6V04
 | | DynU16 crystal structure, a putative protein in the dynemicin biosynthetic locus | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Alvarado, S.K, Miller, M.D, Bhardwaj, M, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N. | | Deposit date: | 2019-11-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural characterization of DynU16, a START/Bet v1-like protein involved in dynemicin biosynthesis.
Acta Crystallogr.,Sect.F, 77, 2021
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3SAN
 | | Crystal structure of influenza A virus neuraminidase N5 complexed with Zanamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, M.Y, Qi, J.X, Liu, Y, Vavricka, C.J, Wu, Y, Li, Q, Gao, G.F. | | Deposit date: | 2011-06-03 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Influenza a virus n5 neuraminidase has an extended 150-cavity
J.Virol., 85, 2011
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7Z94
 | | Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole | | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, ... | | Authors: | Kratky, J, Weisse, R, Strater, N. | | Deposit date: | 2022-03-19 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4TVT
 | | New ligand for thaumatin discovered using acoustic high throughput screening | | Descriptor: | ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ... | | Authors: | Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S. | | Deposit date: | 2014-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
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7YYG
 | | Crystal structure of gatekeeper of type III secretion system in Bordetella BopN | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Prudnikova, T, Kuta Smatanova, I, Kamanova, J, Bumba, L. | | Deposit date: | 2022-02-17 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | BopN is a Gatekeeper of the Bordetella Type III Secretion System.
Microbiol Spectr, 11, 2023
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7YU1
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7YU0
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6VEA
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | Deposit date: | 2019-12-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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7Z6J
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7Z6T
 | | Aspergillus clavatus M36 protease without the propeptide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Extracellular metalloproteinase mep, ... | | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | | Deposit date: | 2022-03-14 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Aspergillus clavatus M36 protease without the propeptide
To Be Published
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7YRQ
 | | Cryo-EM structure of human Peroxisomal ABC Transporter ABCD1 | | Descriptor: | ATP-binding cassette sub-family D member 1, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate | | Authors: | Chao, X, Li-Na, J, Lin, T. | | Deposit date: | 2022-08-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
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7Z3U
 | | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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5VPE
 | | Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | | Authors: | Yin, Z, Machius, M, Rudenko, G. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
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