4BV0
| High Resolution Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | Descriptor: | NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N | Authors: | Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Schuetz, M, Plueckthun, A. | Deposit date: | 2013-06-24 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
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7DLZ
| Crystal Structure of Methyltransferase Ribozyme | Descriptor: | RNA (45-MER), U1 small nuclear ribonucleoprotein A | Authors: | Gan, J.H, Gao, Y.Q, Jiang, H.Y, Chen, D.R, Murchie, A.I.H. | Deposit date: | 2020-11-30 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences Nat Catal, 4, 2021
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3NGP
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7DOZ
| HIV-1 Protease D30N mutant in complex with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Bihani, S.C, Hosur, M.V. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease. J.Biomol.Struct.Dyn., 2021
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3NML
| Sperm whale myoglobin mutant H64W carbonmonoxy-form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
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3NHZ
| Structure of N-terminal Domain of MtrA | Descriptor: | MAGNESIUM ION, Two component system transcriptional regulator mtrA | Authors: | Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M. | Deposit date: | 2010-06-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of response regulator autophosphorylation through interdomain contacts. J.Biol.Chem., 285, 2010
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6EJ3
| BACE1 compound 23 | Descriptor: | (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1 | Authors: | Johansson, P. | Deposit date: | 2017-09-20 | Release date: | 2018-04-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity. J. Med. Chem., 61, 2018
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7DG4
| The co-crystal structure of DYRK2 with a small molecule inhibitor 6 | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-10 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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6EAX
| Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE-CYS, Cationic trypsin, ... | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | Deposit date: | 2018-08-03 | Release date: | 2019-08-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.189 Å) | Cite: | Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 To Be Published
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7D9N
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3NFE
| The crystal structure of hemoglobin I from trematomus newnesi in deoxygenated state | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | Deposit date: | 2010-06-10 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
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6EDF
| Fragment of a tyrosine-protein kinase | Descriptor: | FYN, GLYCEROL, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-08-09 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment of a tyrosine-protein kinase To be Published
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3NMR
| Crystal Structure of CUGBP1 RRM1/2-RNA Complex | Descriptor: | CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3') | Authors: | Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J. | Deposit date: | 2010-06-22 | Release date: | 2010-10-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1. Structure, 18, 2010
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7DH3
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7DHO
| The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | Descriptor: | 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-16 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DH9
| The co-crystal structure of DYRK2 with a small molecule inhibitor 7 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHC
| The co-crystal structure of DYRK2 with a small molecule inhibitor 10 | Descriptor: | 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHH
| The co-crystal structure of DYRK2 with a small molecule inhibitor 19 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-14 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHN
| The co-crystal structure of DYRK2 with a small molecule inhibitor 20 | Descriptor: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-16 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHK
| The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | Descriptor: | 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-16 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHV
| The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-17 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.679 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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4CBN
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6E69
| Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6E6K
| Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-25 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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3NDD
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