7C7F
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![BU of 7c7f by Molmil](/molmil-images/mine/7c7f) | Crystal structures of AKR1C3 binary complex with NADP+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Irie, K, Toyooka, N, Endo, S. | Deposit date: | 2020-05-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J.Med.Chem., 63, 2020
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5KUR
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![BU of 5kur by Molmil](/molmil-images/mine/5kur) | Human cyclophilin A at 100K, Data set 5 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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4UH9
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![BU of 4uh9 by Molmil](/molmil-images/mine/4uh9) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UFK
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![BU of 4ufk by Molmil](/molmil-images/mine/4ufk) | Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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8SIP
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7C8W
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![BU of 7c8w by Molmil](/molmil-images/mine/7c8w) | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | Descriptor: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | Authors: | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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8SUD
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![BU of 8sud by Molmil](/molmil-images/mine/8sud) | JC Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-05-12 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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7CC4
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4UGY
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![BU of 4ugy by Molmil](/molmil-images/mine/4ugy) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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8SWE
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![BU of 8swe by Molmil](/molmil-images/mine/8swe) | FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3 | Descriptor: | Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ... | Authors: | Valverde, R, Foster, L. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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5KYD
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7CCA
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![BU of 7cca by Molmil](/molmil-images/mine/7cca) | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase | Authors: | Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D. | Deposit date: | 2020-06-16 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements. Int.J.Biol.Macromol., 167, 2021
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7CQY
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4UP5
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![BU of 4up5 by Molmil](/molmil-images/mine/4up5) | Crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a chemical fragment | Descriptor: | 6-methoxy-1,3-benzothiazol-2-amine, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ... | Authors: | Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M. | Deposit date: | 2014-06-12 | Release date: | 2014-11-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger. Acs Chem.Biol., 9, 2014
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8SDD
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![BU of 8sdd by Molmil](/molmil-images/mine/8sdd) | Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | Descriptor: | Alpha/beta hydrolase fold protein | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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8SSH
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![BU of 8ssh by Molmil](/molmil-images/mine/8ssh) | MtrR from Neisseria gonorrhoeae bound to Ethinyl Estradiol | Descriptor: | Ethinyl estradiol, HTH-type transcriptional regulator MtrR, PHOSPHATE ION | Authors: | Hooks, G.M, Brennan, R.G. | Deposit date: | 2023-05-08 | Release date: | 2024-02-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR. Nat Commun, 15, 2024
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8SY2
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5L2L
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![BU of 5l2l by Molmil](/molmil-images/mine/5l2l) | Nab2 Zn fingers 5-7 bound to A11G RNA | Descriptor: | Nab2p, RNA (5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*G)-3'), ZINC ION | Authors: | Stewart, M, Aibara, S. | Deposit date: | 2016-08-02 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for the dimerization of Nab2 generated by RNA binding provides insight into its contribution to both poly(A) tail length determination and transcript compaction in Saccharomyces cerevisiae. Nucleic Acids Res., 45, 2017
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5L1V
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7CU0
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![BU of 7cu0 by Molmil](/molmil-images/mine/7cu0) | Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan | Descriptor: | TRYPTOPHAN, Tryptophan 6-halogenase | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | Deposit date: | 2020-08-20 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases. J.Biol.Chem., 296, 2020
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8SKQ
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5L3F
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![BU of 5l3f by Molmil](/molmil-images/mine/5l3f) | LSD1-CoREST1 in complex with polymyxin B | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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4UP7
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5L3T
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![BU of 5l3t by Molmil](/molmil-images/mine/5l3t) | Structure of the Saccharomyces cerevisiae TREX-2 complex | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | Authors: | Stewart, M, Aibara, S. | Deposit date: | 2016-05-24 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.927 Å) | Cite: | The Sac3 TPR-like region in the Saccharomyces cerevisiae TREX-2 complex is more extensive but independent of the CID region. J. Struct. Biol., 195, 2016
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