8FO9
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8FVZ
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![BU of 8fvz by Molmil](/molmil-images/mine/8fvz) | PiPT Y150A | Descriptor: | CITRATE ANION, PHOSPHATE ION, Phosphate transporter | Authors: | Gupta, M, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2023-01-20 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Roles of PiPT residues in phosphate binding and transport tested by mutagenesis To be published
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4H58
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![BU of 4h58 by Molmil](/molmil-images/mine/4h58) | BRAF in complex with compound 3 | Descriptor: | CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf | Authors: | Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. | Deposit date: | 2012-09-18 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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7UV5
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![BU of 7uv5 by Molmil](/molmil-images/mine/7uv5) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S/D286N mutant, in complex with a Lys48-linked di-ubiquitin | Descriptor: | 1,2-ETHANEDIOL, Papain-like protease nsp3, Ubiquitin, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-04-29 | Release date: | 2022-05-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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7UMP
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![BU of 7ump by Molmil](/molmil-images/mine/7ump) | CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | Authors: | Davie, D.R, Abendroth, J, Boyd, J. | Deposit date: | 2022-04-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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4ATD
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![BU of 4atd by Molmil](/molmil-images/mine/4atd) | Crystal structure of native Raucaffricine glucosidase | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | Deposit date: | 2012-05-05 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature Phytochemistry, 91, 2013
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4HAD
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![BU of 4had by Molmil](/molmil-images/mine/4had) | Crystal structure of probable oxidoreductase protein from Rhizobium etli CFN 42 | Descriptor: | Probable oxidoreductase protein, SODIUM ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-09-26 | Release date: | 2012-10-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of probable oxidoreductase protein from Rhizobium etli CFN 42 To be Published
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6SQH
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8FO7
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![BU of 8fo7 by Molmil](/molmil-images/mine/8fo7) | Cryo-EM structure of LRRK2 bound to type I inhibitor LRRK2-IN-1 | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Zhu, H, Sun, J. | Deposit date: | 2022-12-29 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM. Cell Discov, 10, 2024
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8ODW
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![BU of 8odw by Molmil](/molmil-images/mine/8odw) | Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A. | Deposit date: | 2023-03-09 | Release date: | 2023-05-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Modular Oxime Formation by a trans-AT Polyketide Synthase. Angew.Chem.Int.Ed.Engl., 62, 2023
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7UON
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![BU of 7uon by Molmil](/molmil-images/mine/7uon) | CTX-M-14 Y105W mutant | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2022-04-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase. Commun Biol, 6, 2023
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7UCX
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![BU of 7ucx by Molmil](/molmil-images/mine/7ucx) | LRP8 11H1 Fab complexed to a cyclized CR1 peptide | Descriptor: | 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ... | Authors: | Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A. | Deposit date: | 2022-03-17 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The use of cyclic peptide antigens to generate LRP8 specific antibodies Front Drug Discov (Lausanne), 2, 2023
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7UED
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![BU of 7ued by Molmil](/molmil-images/mine/7ued) | Crystal structure of full length mesothelin bound with MORAb-009 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ... | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-21 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
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8FOF
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6SY4
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![BU of 6sy4 by Molmil](/molmil-images/mine/6sy4) | TetR in complex with the TetR-binding RNA-aptamer K1 | Descriptor: | TetR-binding aptamer K1 (43-MER), Tetracycline repressor protein class B from transposon Tn10 | Authors: | Grau, F.C, Muller, Y.A, Suess, B, Groher, F, Jaeger, J. | Deposit date: | 2019-09-27 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | The complex formed between a synthetic RNA aptamer and the transcription repressor TetR is a structural and functional twin of the operator DNA-TetR regulator complex. Nucleic Acids Res., 48, 2020
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8FL1
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![BU of 8fl1 by Molmil](/molmil-images/mine/8fl1) | Cryo-EM Structure of PG9RSH DU025 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-21 | Release date: | 2023-05-31 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Improved HIV-1 neutralization breadth and potency of V2-apex antibodies by in silico design. Cell Rep, 42, 2023
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4DIN
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![BU of 4din by Molmil](/molmil-images/mine/4din) | Novel Localization and Quaternary Structure of the PKA RI beta Holoenzyme | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Ilouz, R, Bubis, J, Wu, J, Yim, Y.Y, Deal, M.S, Kornev, A.P, Ma, Y, Blumenthal, D.K, Taylor, S.S. | Deposit date: | 2012-01-31 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Localization and quaternary structure of the PKA RI Beta holoenzyme Proc.Natl.Acad.Sci.USA, 109, 2012
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8FAE
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![BU of 8fae by Molmil](/molmil-images/mine/8fae) | Asymmetric structure of cleaved HIV-1 AE2 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles (AE2.1) | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, K, Zhang, S, Sodroski, J, Mao, Y. | Deposit date: | 2022-11-26 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles. Commun Biol, 6, 2023
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8FAD
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![BU of 8fad by Molmil](/molmil-images/mine/8fad) | Asymmetric structure of cleaved HIV-1 AD8 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, K, Zhang, S, Sodroski, J, Mao, Y. | Deposit date: | 2022-11-26 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles. Commun Biol, 6, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8G2F
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![BU of 8g2f by Molmil](/molmil-images/mine/8g2f) | Crystal Structure of PRMT3 with Compound II710 | Descriptor: | 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-03 | Release date: | 2023-05-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors. Acta Pharm Sin B, 13, 2023
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3EOE
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![BU of 3eoe by Molmil](/molmil-images/mine/3eoe) | Crystal Structure of Pyruvate Kinase from toxoplasma gondii, 55.m00007 | Descriptor: | GLYCEROL, Pyruvate kinase | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Wasney, G, Hassani, A, Vedadi, M, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-26 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The crystal structure of Toxoplasma gondii pyruvate kinase 1. Plos One, 5, 2010
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2O7Y
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![BU of 2o7y by Molmil](/molmil-images/mine/2o7y) | Duplex DNA containing an abasic site with an opposite T (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*TP*CP*TP*TP*TP*GP*G)-3' | Authors: | Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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3EGX
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1USW
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![BU of 1usw by Molmil](/molmil-images/mine/1usw) | Crystal Structure of Ferulic Acid Esterase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FERULOYL ESTERASE A, SULFATE ION | Authors: | Hermoso, J, Sanz-Aparicio, J, Molina, R, Faulds, C. | Deposit date: | 2003-12-01 | Release date: | 2004-04-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Crystal Structure of Feruloyl Esterase a from Aspergillus Niger Suggests Evolutive Functional Convergence in Feruloyl Esterase Family J.Mol.Biol., 338, 2004
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