6OUV
 
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8PUO
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6O3L
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7OZW
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6OUW
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6O3G
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6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | Authors: | Irimia, A, Wilson, I.A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-12-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.416 Å) | | Cite: | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
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6ZND
 | | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone, ... | | Authors: | Tresadern, G, Leonard, P.M. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration.
J.Med.Chem., 63, 2020
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6ZQZ
 | | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | | Descriptor: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Tresadern, G, Leonard, P.M. | | Deposit date: | 2020-07-10 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration.
J.Med.Chem., 63, 2020
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8QBQ
 | | Crystal structure of the outer membrane decaheme cytochrome MtrC (A430Boc-Lys) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Nash, B.W, Lockwood, C.J, Whiting, K, Butt, J.N, Clarke, T.A, Edwards, M.J. | | Deposit date: | 2023-08-25 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Acs Synth Biol, 13, 2024
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8QC9
 | | Crystal structure of the outer membrane decaheme cytochrome MtrC (A293Boc-Lys) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Nash, B.W, Lockwood, C.J, Edwards, M.J, Whiting, K, Butt, J.N, Clarke, T.A. | | Deposit date: | 2023-08-25 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Acs Synth Biol, 13, 2024
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6YOZ
 | | HiCel7B labelled with b-1,4-glucosyl cyclophellitol | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-04-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
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6NFP
 | | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168 | | Descriptor: | 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ... | | Authors: | Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-20 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
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7PQT
 | | Apo human Kv3.1 cryo-EM structure | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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8A29
 | | Apo 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hamid, R, Adam, S, Lacour, A, Monjas, L, Hirsch, A. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
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8A5K
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8JTD
 | | BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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8JTM
 | | CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-22 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (5.14 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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8A45
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8ZWB
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8ZI8
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,5-Dihydroxybenzoate. | | Descriptor: | 1,2-ETHANEDIOL, 2,5-dihydroxybenzoic acid, 4-hydroxythreonine-4-phosphate dehydrogenase, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-13 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,5-Dihydroxybenzoate.
To Be Published
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8ZJ3
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 4-Hydroxybenzoate. | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxythreonine-4-phosphate dehydrogenase, GLYCEROL, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 4-Hydroxybenzoate.
To Be Published
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8ZIN
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,4-dihydroxybenzoate. | | Descriptor: | 1,2-ETHANEDIOL, 2,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,4-dihydroxybenzoate.
To Be Published
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9EUE
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EUA
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23d | | Descriptor: | (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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