4PUG
| BolA1 from Arabidopsis thaliana | Descriptor: | BolA like protein | Authors: | Roret, T, Didierjean, C. | Deposit date: | 2014-03-13 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes. J.Biol.Chem., 289, 2014
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4PUI
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5V9P
| Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4RWY
| Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Acharya, P, Luongo, T.S, Kwong, P.D. | Deposit date: | 2014-12-08 | Release date: | 2015-07-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell(Cambridge,Mass.), 161, 2015
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4RX4
| Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | Authors: | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | Deposit date: | 2014-12-08 | Release date: | 2015-07-01 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell(Cambridge,Mass.), 161, 2015
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4GFO
| TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GJ3
| Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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6J18
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J19
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ... | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6JD5
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J17
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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4I3R
| Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | Deposit date: | 2012-11-26 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04. J.Virol., 87, 2013
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7FCZ
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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4IKA
| Crystal structure of EV71 3Dpol-VPg | Descriptor: | 3Dpol, NICKEL (II) ION, VPg | Authors: | Chen, C, Wang, Y.X, Lou, Z.Y. | Deposit date: | 2012-12-25 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of enterovirus 71 RNA-dependent RNA polymerase complexed with its protein primer VPg: implication for a trans mechanism of VPg uridylylation J.Virol., 87, 2013
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4IP7
| Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP. | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... | Authors: | Holyoak, T, Fenton, A.W. | Deposit date: | 2013-01-09 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase. Biochemistry, 52, 2013
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6KI6
| Crystal structure of BCL11A in complex with gamma-globin -115 HPFH region | Descriptor: | B-cell lymphoma/leukemia 11A, DNA (5'-D(*AP*TP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*GP*AP*CP*CP*AP*AP*TP*A)-3'), ... | Authors: | Li, F.D, Yang, Y, Shi, Y.Y. | Deposit date: | 2019-07-17 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the recognition of gamma-globin gene promoter by BCL11A. Cell Res., 29, 2019
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4GII
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4GFM
| JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GMY
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4GIH
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6JD4
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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4H8W
| Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC AND NON-NEUTRALIZING ANTI-HIV-1 ANTIBODY N5-I5, ... | Authors: | Tolbert, W.D, Acharya, P, Kwong, P.D, Pazgier, M. | Deposit date: | 2012-09-24 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection. J.Virol., 88, 2014
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4I3S
| Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21 | Descriptor: | CALCIUM ION, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | Deposit date: | 2012-11-26 | Release date: | 2013-01-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04. J.Virol., 87, 2013
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4GJ2
| Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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