5FAA
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![BU of 5faa by Molmil](/molmil-images/mine/5faa) | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG, - I422 space group | Descriptor: | 1,2-ETHANEDIOL, Cell surface protein SpaA | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | Deposit date: | 2015-12-11 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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5FGS
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![BU of 5fgs by Molmil](/molmil-images/mine/5fgs) | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group | Descriptor: | Cell surface protein SpaA, ZINC ION | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | Deposit date: | 2015-12-21 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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5FGR
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![BU of 5fgr by Molmil](/molmil-images/mine/5fgr) | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group with Yb Heavy atom | Descriptor: | Cell surface protein SpaA, YTTERBIUM (III) ION | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | Deposit date: | 2015-12-21 | Release date: | 2016-07-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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5FIE
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![BU of 5fie by Molmil](/molmil-images/mine/5fie) | Crystal structure of N-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG | Descriptor: | Cell surface protein SpaA, SODIUM ION | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | Deposit date: | 2015-12-23 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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8C46
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![BU of 8c46 by Molmil](/molmil-images/mine/8c46) | |
3EG2
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![BU of 3eg2 by Molmil](/molmil-images/mine/3eg2) | Crystal structure of the N114Q mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-10 | Release date: | 2009-09-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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3EG0
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![BU of 3eg0 by Molmil](/molmil-images/mine/3eg0) | Crystal structure of the N114T mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-10 | Release date: | 2009-09-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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6MAU
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![BU of 6mau by Molmil](/molmil-images/mine/6mau) | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | Descriptor: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | Authors: | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2018-08-28 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases. Bioorg. Med. Chem. Lett., 29, 2019
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3EG1
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3EGU
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![BU of 3egu by Molmil](/molmil-images/mine/3egu) | Crystal structure of the N114A mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-11 | Release date: | 2009-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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3EG3
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![BU of 3eg3 by Molmil](/molmil-images/mine/3eg3) | Crystal structure of the N114A mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-10 | Release date: | 2009-09-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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7JY0
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![BU of 7jy0 by Molmil](/molmil-images/mine/7jy0) | Structure of HbA with compound 9 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JXZ
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![BU of 7jxz by Molmil](/molmil-images/mine/7jxz) | Structure of HbA with compound (S)-4 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JY3
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![BU of 7jy3 by Molmil](/molmil-images/mine/7jy3) | Structure of HbA with compound 23 (PF-07059013) | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JY1
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![BU of 7jy1 by Molmil](/molmil-images/mine/7jy1) | Structure of HbA with compound 19 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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8G9Z
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![BU of 8g9z by Molmil](/molmil-images/mine/8g9z) | High-resolution crystal structure of the human selenomethionine-derived SepSecS-tRNASec complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | Authors: | Puppala, A, Simonovic, M, Castillo Suchkou, J. | Deposit date: | 2023-02-22 | Release date: | 2023-04-05 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 51, 2023
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7MDL
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![BU of 7mdl by Molmil](/molmil-images/mine/7mdl) | High-resolution crystal structure of human SepSecS-tRNASec complex | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, CITRATE ANION, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | Authors: | Puppala, A, French, R.L, Simonovic, M. | Deposit date: | 2021-04-05 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 2023
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7L1T
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![BU of 7l1t by Molmil](/molmil-images/mine/7l1t) | Crystal structure of human holo SepSecS | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION | Authors: | Puppala, A, Castillo Suchkou, J, Simonovic, M. | Deposit date: | 2020-12-15 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 2023
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2R7B
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![BU of 2r7b by Molmil](/molmil-images/mine/2r7b) | Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor | Descriptor: | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | Authors: | Olland, A.M. | Deposit date: | 2007-09-07 | Release date: | 2008-09-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors. J.Med.Chem., 50, 2007
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7Q6H
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![BU of 7q6h by Molmil](/molmil-images/mine/7q6h) | |
7Q7K
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![BU of 7q7k by Molmil](/molmil-images/mine/7q7k) | JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | Descriptor: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Rowland, P. | Deposit date: | 2021-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022
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7Q7L
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![BU of 7q7l by Molmil](/molmil-images/mine/7q7l) | |
7Q7I
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![BU of 7q7i by Molmil](/molmil-images/mine/7q7i) | |
7Q7W
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![BU of 7q7w by Molmil](/molmil-images/mine/7q7w) | |
3BCE
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![BU of 3bce by Molmil](/molmil-images/mine/3bce) | Crystal structure of the ErbB4 kinase | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Receptor tyrosine-protein kinase erbB-4, ... | Authors: | Qiu, C. | Deposit date: | 2007-11-12 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase. Structure, 16, 2008
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