5SY9
 
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6I8Z
 | | Crystal structure of PTK2 in complex with BI-4464. | | Descriptor: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1 | | Authors: | Bader, G, Zoephel, A. | | Deposit date: | 2018-11-21 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions.
J.Med.Chem., 62, 2019
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5TOF
 | | Room temperature structure of ubiquitin variant u7ub25 | | Descriptor: | Polyubiquitin-B, SULFATE ION | | Authors: | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | | Deposit date: | 2016-10-17 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.
Structure, 25, 2017
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6HS4
 | | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118 | | Descriptor: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
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6I3B
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8DT0
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6HG6
 | | Clostridium beijerinckii aldo-keto reductase Cbei_3974 with NADPH | | Descriptor: | 1,2-ETHANEDIOL, L-glyceraldehyde 3-phosphate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Scott, A.F, Cresser-Brown, J, Rizkallah, P.J, Jin, Y, Allemann, R.K. | | Deposit date: | 2018-08-22 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure and Biophysical Analysis of Furfural-Detoxifying Aldehyde Reductase from Clostridium beijerinckii.
Appl.Environ.Microbiol., 85, 2019
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5URC
 | | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | | Deposit date: | 2017-02-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
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6H64
 | | Crystal structure of the CRD-SAT | | Descriptor: | Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Charron, C, Kriznik, A, Yelehe-Okouma, M, Jouzeau, J.-Y, Reboul, P. | | Deposit date: | 2018-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRD SAT Generated by pCARGHO: A New Efficient Lectin-Based Affinity Tag Method for Safe, Simple, and Low-Cost Protein Purification.
Biotechnol J, 14, 2019
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8E5R
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol | | Authors: | Taylor, A.B, Alwan, S.N. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
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8E5Q
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150303 Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol | | Authors: | Taylor, A.B, Alwan, S.N. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
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8DOT
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5TIU
 | | Crystal structure of SYK kinase domain with inhibitor | | Descriptor: | 5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Ellis, J.M, Altman, M.D, Cash, B, Haidle, A.M, Kubiak, R.L, Maddess, M.L, Yan, Y, Northrup, A.B. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.
ACS Med Chem Lett, 7, 2016
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6I3A
 | | Crystal structure of v22Pizza6-AYW, a circularly permuted designer protein | | Descriptor: | BROMIDE ION, v22Pizza6-AYW | | Authors: | Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. | | Deposit date: | 2018-11-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
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5SV3
 | | RTA1-33/44-198 (RVEC) bound to Single Domain Antibody A3C8 | | Descriptor: | Anti-Ricin A-chain Single Domain Antibody (sdAb) A3C8, Ricin, SULFATE ION | | Authors: | Compton, J.R, Legler, P.M. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
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5SY6
 | | Atomic resolution structure of human DJ-1, DTT bound | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1 | | Authors: | Wilson, M.A, Lin, J. | | Deposit date: | 2016-08-10 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
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2Y74
 | | THE CRYSTAL STRUCTURE OF HUMAN SOLUBLE PRIMARY AMINE OXIDASE AOC3 IN THE OFF-COPPER CONFORMATION | | 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: | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | | Deposit date: | 2011-01-28 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
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7UMJ
 | | Crystal structure of recombinant Solieria filiformis lectin (rSfL) | | Descriptor: | Lectin SfL-1, SULFATE ION | | Authors: | Chaves, R.P, Bezerra, E.H.S, da Silva, F.M.S, Carneiro, R.F, Sampaio, A.H, Rocha, B.A.M, Nagano, C.S. | | Deposit date: | 2022-04-07 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural study and antimicrobial and wound healing effects of lectin from Solieria filiformis (Kutzing) P.W.Gabrielson.
Biochimie, 214, 2023
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2Y73
 | | THE NATIVE STRUCTURES OF SOLUBLE HUMAN PRIMARY AMINE OXIDASE AOC3 | | 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: | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | | Deposit date: | 2011-01-28 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
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7VS2
 | | secreted fungal effector protein MoErs1 | | Descriptor: | MoErs1 | | Authors: | Wang, F.F, Xing, W.M. | | Deposit date: | 2021-10-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
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7WD0
 | | SARS-CoV-2 Beta spike in complex with two S5D2 Fabs | | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WDF
 | | SARS-CoV-2 Beta spike in complex with two S3H3 Fabs | | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WD9
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7WD7
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7WCR
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