4YFF
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![BU of 4yff by Molmil](/molmil-images/mine/4yff) | TNNI3K complexed with inhibitor 2 | Descriptor: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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7C29
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![BU of 7c29 by Molmil](/molmil-images/mine/7c29) | Esterase CrmE10 mutant-D178A | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-07 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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5B77
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5B79
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![BU of 5b79 by Molmil](/molmil-images/mine/5b79) | Crystal structure of DPF2 double PHD finger | Descriptor: | ZINC ION, Zinc finger protein ubi-d4 | Authors: | Li, H, Xiong, X. | Deposit date: | 2016-06-05 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2 Nat.Chem.Biol., 12, 2016
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4YFI
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![BU of 4yfi by Molmil](/molmil-images/mine/4yfi) | TNNI3K complexed with inhibitor 1 | Descriptor: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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5B78
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6K13
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![BU of 6k13 by Molmil](/molmil-images/mine/6k13) | Crystal Structure Basis for BmLDH Complex | Descriptor: | L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | Authors: | Long, Y, Shen, Z. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6K12
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![BU of 6k12 by Molmil](/molmil-images/mine/6k12) | Babesia microti lactate dehydrogenase apo form (BmLDH) | Descriptor: | L-lactate dehydrogenase | Authors: | Long, Y. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6R8Q
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![BU of 6r8q by Molmil](/molmil-images/mine/6r8q) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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7XRW
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![BU of 7xrw by Molmil](/molmil-images/mine/7xrw) | Solution structure of T. brucei RAP1 | Descriptor: | Repressor activator protein 1 | Authors: | Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X. | Deposit date: | 2022-05-12 | Release date: | 2023-03-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression. Nat Commun, 14, 2023
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6LU7
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![BU of 6lu7 by Molmil](/molmil-images/mine/6lu7) | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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8ONV
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![BU of 8onv by Molmil](/molmil-images/mine/8onv) | KRAS-G13D in complex with BI-2493 | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2023-04-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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5AYW
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![BU of 5ayw by Molmil](/molmil-images/mine/5ayw) | Structure of a membrane complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Huang, Y, Han, L, Zheng, J. | Deposit date: | 2015-09-14 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.555 Å) | Cite: | Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins Nat.Struct.Mol.Biol., 23, 2016
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5HCV
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5GTM
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![BU of 5gtm by Molmil](/molmil-images/mine/5gtm) | Modified human MxA, nucleotide-free form | Descriptor: | Interferon-induced GTP-binding protein Mx1 | Authors: | Chen, Y, Gao, S. | Deposit date: | 2016-08-22 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET Nat Commun, 8, 2017
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3KW4
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![BU of 3kw4 by Molmil](/molmil-images/mine/3kw4) | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine | Descriptor: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R. | Deposit date: | 2009-11-30 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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3N2N
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![BU of 3n2n by Molmil](/molmil-images/mine/3n2n) | The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain | Descriptor: | ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION | Authors: | Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H. | Deposit date: | 2010-05-18 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin. Plos One, 5, 2010
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7ORA
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![BU of 7ora by Molmil](/molmil-images/mine/7ora) | Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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3E5M
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![BU of 3e5m by Molmil](/molmil-images/mine/3e5m) | Crystal structure of the HSCARG Y81A mutant | Descriptor: | NmrA-like family domain-containing protein 1 | Authors: | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | Deposit date: | 2008-08-14 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NADPH is an allosteric regulator of HSCARG J.Mol.Biol., 387, 2009
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4DIX
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5TAB
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![BU of 5tab by Molmil](/molmil-images/mine/5tab) | |
7PS3
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![BU of 7ps3 by Molmil](/molmil-images/mine/7ps3) | Crystal structure of antibody Beta-32 Fab | Descriptor: | Beta-32 heavy chain, Beta-32 light chain, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-22 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7PS0
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![BU of 7ps0 by Molmil](/molmil-images/mine/7ps0) | Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with beta-24 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-24 heavy chain, Beta-24 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-22 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7PRY
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![BU of 7pry by Molmil](/molmil-images/mine/7pry) | Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with COVOX-45 and beta-6 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-6 Fab heavy chain, Beta-6 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-22 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7PS4
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![BU of 7ps4 by Molmil](/molmil-images/mine/7ps4) | Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-38 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-38 Fab heavy chain, Beta-38 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-22 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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