7DHO
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![BU of 7dho by Molmil](/molmil-images/mine/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
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![BU of 7dh9 by Molmil](/molmil-images/mine/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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2MKD
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![BU of 2mkd by Molmil](/molmil-images/mine/2mkd) | Human JAZ ZF3 Residues 168-227 | Descriptor: | ZINC ION, Zinc finger protein 346 | Authors: | Wright, P, Dyson, J, Burge, R, Martinez-Yamout, M. | Deposit date: | 2014-02-05 | Release date: | 2014-03-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and Nucleic Acids. Biochemistry, 53, 2014
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7DHC
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![BU of 7dhc by Molmil](/molmil-images/mine/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
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![BU of 7dhh by Molmil](/molmil-images/mine/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
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![BU of 7dhn by Molmil](/molmil-images/mine/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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3J0C
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![BU of 3j0c by Molmil](/molmil-images/mine/3j0c) | Models of E1, E2 and CP of Venezuelan Equine Encephalitis Virus TC-83 strain restrained by a near atomic resolution cryo-EM map | Descriptor: | Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein | Authors: | Zhang, R, Hryc, C.F, Cong, Y, Liu, X, Jakana, J, Gorchakov, R, Baker, M.L, Weaver, S.C, Chiu, W. | Deposit date: | 2011-06-22 | Release date: | 2011-08-24 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | 4.4 A cryo-EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus. Embo J., 30, 2011
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7DHK
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![BU of 7dhk by Molmil](/molmil-images/mine/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
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![BU of 7dhv by Molmil](/molmil-images/mine/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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2M6N
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![BU of 2m6n by Molmil](/molmil-images/mine/2m6n) | 3D solution structure of EMI1 (Early Mitotic Inhibitor 1) | Descriptor: | F-box only protein 5, ZINC ION | Authors: | Frye, J.J, Brown, N.G, Petzold, G, Watson, E.R, Royappa, G.R, Nourse, A, Jarvis, M, Kriwacki, R.W, Peters, J, Stark, H, Schulman, B.A. | Deposit date: | 2013-04-06 | Release date: | 2013-05-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Electron microscopy structure of human APC/C(CDH1)-EMI1 reveals multimodal mechanism of E3 ligase shutdown. Nat.Struct.Mol.Biol., 20, 2013
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7NA8
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![BU of 7na8 by Molmil](/molmil-images/mine/7na8) | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | Descriptor: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine], Antibody fragment, CHOLESTEROL, ... | Authors: | Liu, H, Sun, D, Sun, J, Zhang, C. | Deposit date: | 2021-06-20 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren Nat Commun, 12, 2021
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7NA7
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![BU of 7na7 by Molmil](/molmil-images/mine/7na7) | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | Descriptor: | Antibody fragment, CHOLESTEROL, Ghrelin-27, ... | Authors: | Liu, H, Sun, D, Sun, J, Zhang, C. | Deposit date: | 2021-06-20 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren Nat Commun, 12, 2021
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5UFR
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![BU of 5ufr by Molmil](/molmil-images/mine/5ufr) | Structure of RORgt bound to | Descriptor: | (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Abad, M. | Deposit date: | 2017-01-05 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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2IQ1
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![BU of 2iq1 by Molmil](/molmil-images/mine/2iq1) | Crystal structure of human PPM1K | Descriptor: | MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K | Authors: | Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-10-12 | Release date: | 2006-11-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM., 8, 2007
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4BP0
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![BU of 4bp0 by Molmil](/molmil-images/mine/4bp0) | Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1 | Descriptor: | CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ... | Authors: | McDonough, M.A, Brem, J, Schofield, C.J. | Deposit date: | 2013-05-22 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1 Chem Sci, 6, 2015
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1FP4
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![BU of 1fp4 by Molmil](/molmil-images/mine/1fp4) | CRYSTAL STRUCTURE OF THE ALPHA-H195Q MUTANT OF NITROGENASE | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE-MO-S CLUSTER, ... | Authors: | Sorlie, M, Christiansen, J, Lemon, B.J, Peters, J.W, Dean, D.R, Hales, B.J. | Deposit date: | 2000-08-30 | Release date: | 2002-11-20 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic features and structure of the nitrogenase alpha-Gln195 MoFe protein Biochemistry, 40, 2001
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7DJO
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![BU of 7djo by Molmil](/molmil-images/mine/7djo) | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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3FHW
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![BU of 3fhw by Molmil](/molmil-images/mine/3fhw) | Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162. | Descriptor: | DI(HYDROXYETHYL)ETHER, Primosomal replication protein n, SODIUM ION | Authors: | Kuzin, A.P, Neely, H, Seetharaman, J, Forouhar, F, Wang, D, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-10 | Release date: | 2008-12-30 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the protein priB from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR162. To be Published
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6AC5
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![BU of 6ac5 by Molmil](/molmil-images/mine/6ac5) | Crystal structure of RIPK1 death domain GlcNAcylated by EPEC effector NleB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | Authors: | Ding, J, Shao, F. | Deposit date: | 2018-07-25 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector. Mol.Cell, 74, 2019
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7NGE
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![BU of 7nge by Molmil](/molmil-images/mine/7nge) | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation | Descriptor: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Mirgaux, M, Wouters, J. | Deposit date: | 2021-02-09 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
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1FF5
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![BU of 1ff5 by Molmil](/molmil-images/mine/1ff5) | STRUCTURE OF E-CADHERIN DOUBLE DOMAIN | Descriptor: | CALCIUM ION, EPITHELIAL CADHERIN | Authors: | Pertz, O, Bozic, D, Koch, A.W, Fauser, C, Brancaccio, A, Engel, J. | Deposit date: | 2000-07-25 | Release date: | 2000-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | A new crystal structure, Ca2+ dependence and mutational analysis reveal molecular details of E-cadherin homoassociation. EMBO J., 18, 1999
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5U7J
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![BU of 5u7j by Molmil](/molmil-images/mine/5u7j) | PDE2 catalytic domain complexed with inhibitors | Descriptor: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | Authors: | Pandit, J, Parris, K. | Deposit date: | 2016-12-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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4DZB
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![BU of 4dzb by Molmil](/molmil-images/mine/4dzb) | |
7DIJ
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![BU of 7dij by Molmil](/molmil-images/mine/7dij) | Falcilysin in complex with MK-4815 | Descriptor: | 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
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6AHV
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![BU of 6ahv by Molmil](/molmil-images/mine/6ahv) | Crystal structure of human RPP40 | Descriptor: | Ribonuclease P protein subunit p40 | Authors: | Wu, J, Niu, S, Tan, M, Lan, P, Lei, M. | Deposit date: | 2018-08-20 | Release date: | 2018-12-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cryo-EM Structure of the Human Ribonuclease P Holoenzyme. Cell, 175, 2018
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