4JO3
 
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3X0X
 | | Crystal structure of apo-DszC from Rhodococcus erythropolis D-1 | | Descriptor: | DszC | | Authors: | Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M. | | Deposit date: | 2014-10-23 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
Febs J., 282, 2015
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4JO4
 | | Crystal structure of rabbit mAb R20 Fab | | Descriptor: | PENTAETHYLENE GLYCOL, SULFATE ION, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ... | | Authors: | Pan, R.M, Kong, X.P. | | Deposit date: | 2013-03-16 | | Release date: | 2013-07-31 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
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4JL7
 | | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | Deposit date: | 2013-03-12 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1.
Plos One, 8, 2013
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6TOG
 | | Crystal structure of human BCL6 BTB domain in complex with compound 5 | | Descriptor: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOM
 | | Crystal structure of human BCL6 BTB domain in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6A45
 | | Structure of mouse TREX2 | | Descriptor: | PHOSPHATE ION, Three prime repair exonuclease 2 | | Authors: | Hsiao, Y.Y. | | Deposit date: | 2018-06-19 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structural insights into the duplex DNA processing of TREX2
Nucleic Acids Res., 46, 2018
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6TOL
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25a | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOF
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOK
 | | Crystal structure of human BCL6 BTB domain in complex with compound 23d | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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3O17
 | | Crystal Structure of JNK1-alpha1 isoform | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | | Authors: | Abad-Zapatero, C. | | Deposit date: | 2010-07-20 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
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6TON
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25b | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOI
 | | Crystal structure of human BCL6 BTB domain in complex with compound 11f | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOO
 | | Crystal structure of human BCL6 BTB domain in complex with compound 11a | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6KYC
 | | Structure of the S207A mutant of Clostridium difficile sortase B | | Descriptor: | Putative peptidase C60B, sortase B | | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | | Deposit date: | 2019-09-17 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
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6APL
 | | Crystal Structure of human ST6GALNAC2 in complex with CMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2, CYTIDINE-5'-MONOPHOSPHATE | | Authors: | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
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7F5G
 | | The crystal structure of RBD-Nanobody complex, DL4 (SA4) | | Descriptor: | ACETATE ION, GLYCEROL, Nanobody DL4, ... | | Authors: | Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | | Deposit date: | 2021-06-22 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2.
Int.J.Biol.Macromol., 209, 2022
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7QK0
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | Descriptor: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
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6KYD
 | | Structure of the R217A mutant of Clostridium difficile sortase B | | Descriptor: | Putative peptidase C60B, sortase B | | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | | Deposit date: | 2019-09-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
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6APJ
 | | Crystal Structure of human ST6GALNAC2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 | | Authors: | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
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7F5H
 | | The crystal structure of RBD-Nanobody complex, DL28 (SC4) | | Descriptor: | GLYCEROL, Nanobody DL28, PHOSPHATE ION, ... | | Authors: | Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
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3O2M
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7DK3
 | | SARS-CoV-2 S trimer, S-open | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2020-11-23 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
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7DF4
 | | SARS-CoV-2 S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Cong, X, Yao, C. | | Deposit date: | 2020-11-06 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
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7DF3
 | | SARS-CoV-2 S trimer, S-closed | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cong, X, Yao, C. | | Deposit date: | 2020-11-06 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
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