4RT6
 
 | | Structure of a complex between hemopexin and hemopexin binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heme/hemopexin-binding protein, Hemopexin | | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | | Deposit date: | 2014-11-13 | | Release date: | 2016-05-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae.
Nat Commun, 7, 2016
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8R6K
 | | Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a phenyltriazine ligand | | Descriptor: | 6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine, Candida glabrata strain CBS138 chromosome C complete sequence, PHOSPHATE ION, ... | | Authors: | Petosa, C, Wei, K, McKenna, C.E, Govin, J. | | Deposit date: | 2023-11-22 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors with Antifungal Potential against invasive Candida infection
Advanced Science, 2024
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6CDE
 | | Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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4U86
 | | Human Pin1 with cysteine sulfonic acid 113 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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4U85
 | | Human Pin1 with cysteine sulfinic acid 113 | | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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8R6I
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5SZ2
 | | Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide | | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ7
 | | Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide | | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ4
 | | Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide | | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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6CDI
 | | Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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4U84
 | | Human Pin1 with S-hydroxyl-cysteine 113 | | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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5ESZ
 | | Crystal Structure of Broadly Neutralizing Antibody CH04, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade AE Strain A244 | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH04 Heavy Chain, ... | | Authors: | Gorman, J, Yang, M, Kwong, P.D. | | Deposit date: | 2015-11-17 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (4.191 Å) | | Cite: | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat. Struct. Mol. Biol., 23, 2016
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7MU6
 | | Ask1 bound to compound 28 | | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Chodaparambil, J.V, Marcotte, D.J. | | Deposit date: | 2021-05-14 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.165 Å) | | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.
J.Med.Chem., 64, 2021
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5ESV
 | | Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256. | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorman, J, Yang, M, Kwong, P.D. | | Deposit date: | 2015-11-17 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.105 Å) | | Cite: | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat.Struct.Mol.Biol., 23, 2016
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6VEC
 | | Cryo-EM structure of F-actin/Plastin2-ABD2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Zheng, W, Kudryashov, D.S, Egelman, E.H. | | Deposit date: | 2019-12-31 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Osteogenesis imperfecta mutations in plastin 3 lead to impaired calcium regulation of actin bundling.
Bone Res, 8, 2020
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5SZ0
 | | Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ5
 | | Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.274 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ1
 | | Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide | | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ3
 | | Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide | | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ6
 | | Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide | | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5TKJ
 | | Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519 | | Descriptor: | HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ... | | Authors: | Xu, K, Liu, K, Kwong, P.D. | | Deposit date: | 2016-10-06 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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5TKK
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5JCT
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7VPA
 | | Crystal structure of Ple629 from marine microbial consortium | | Descriptor: | hydrolase Ple629 | | Authors: | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | Deposit date: | 2021-10-15 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
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7VMD
 | | Crystal structure of a hydrolases Ple628 from marine microbial consortium | | Descriptor: | CALCIUM ION, hydrolase Ple628 | | Authors: | Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R. | | Deposit date: | 2021-10-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
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