2J8Z
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![BU of 2j8z by Molmil](/molmil-images/mine/2j8z) | Crystal Structure of human P53 inducible oxidoreductase (TP53I3,PIG3) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, QUINONE OXIDOREDUCTASE | Authors: | Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Porte, S, Fita, I, Pares, J, Pares, X, Oppermann, U. | Deposit date: | 2006-10-31 | Release date: | 2006-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-Dimensional Structure and Enzymatic Function of Proapoptotic Human P53-Inducible Quinone Oxidoreductase Pig3. J.Biol.Chem., 284, 2009
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4WH7
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![BU of 4wh7 by Molmil](/molmil-images/mine/4wh7) | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | Deposit date: | 2014-09-20 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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6O6O
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![BU of 6o6o by Molmil](/molmil-images/mine/6o6o) | Structure of the regulator FasR from Mycobacterium tuberculosis | Descriptor: | MYRISTIC ACID, TetR family transcriptional regulator | Authors: | Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A. | Deposit date: | 2019-03-07 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine. Nat Commun, 11, 2020
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4WH9
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![BU of 4wh9 by Molmil](/molmil-images/mine/4wh9) | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | Deposit date: | 2014-09-20 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol., 10, 2015
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4WJZ
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![BU of 4wjz by Molmil](/molmil-images/mine/4wjz) | Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, PHOSPHATE ION | Authors: | Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-01 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae. J.Bacteriol., 198, 2015
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6O54
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![BU of 6o54 by Molmil](/molmil-images/mine/6o54) | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N) | Descriptor: | CHLORIDE ION, HIV-1 protease | Authors: | Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
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7XTQ
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![BU of 7xtq by Molmil](/molmil-images/mine/7xtq) | Cryo-EM structure of the R399-bound GPBAR-Gs complex | Descriptor: | G-protein coupled bile acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P. | Deposit date: | 2022-05-17 | Release date: | 2022-07-06 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity. Proc.Natl.Acad.Sci.USA, 119, 2022
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4WJQ
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![BU of 4wjq by Molmil](/molmil-images/mine/4wjq) | Crystal Structure of SUMO1 in complex with Daxx | Descriptor: | Daxx, Small ubiquitin-related modifier 1 | Authors: | Cappadocia, L, Mascle, X.H, Bourdeau, V, Tremblay-Belzile, S, Chaker-Margot, M, Lussier-Price, M, Wada, J, Sakaguchi, K, Aubry, M, Ferbeyre, G, Omichinski, J.G. | Deposit date: | 2014-10-01 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1. Structure, 23, 2015
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4WK5
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![BU of 4wk5 by Molmil](/molmil-images/mine/4wk5) | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 | Descriptor: | Geranyltranstransferase | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-01 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 To be published
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6O5X
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![BU of 6o5x by Molmil](/molmil-images/mine/6o5x) | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2 | Descriptor: | CHLORIDE ION, HIV-1 protease PR-S17, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2019-03-04 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
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6O9K
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![BU of 6o9k by Molmil](/molmil-images/mine/6o9k) | 70S initiation complex | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Frank, J, Gonzalez Jr, R.L, kaledhonkar, S, Fu, Z, Caban, K, Li, W, Chen, B, Sun, M. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Late steps in bacterial translation initiation visualized using time-resolved cryo-EM. Nature, 570, 2019
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4WIP
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![BU of 4wip by Molmil](/molmil-images/mine/4wip) | DIX domain of human Dvl2 | Descriptor: | PENTAETHYLENE GLYCOL, Segment polarity protein dishevelled homolog DVL-2 | Authors: | Fiedler, M, Bienz, M, Madrzak, J, Chin, J.W. | Deposit date: | 2014-09-26 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Ubiquitination of the Dishevelled DIX domain blocks its head-to-tail polymerization. Nat Commun, 6, 2015
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6O6D
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![BU of 6o6d by Molmil](/molmil-images/mine/6o6d) | |
7CRC
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![BU of 7crc by Molmil](/molmil-images/mine/7crc) | Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ... | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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7TXD
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![BU of 7txd by Molmil](/molmil-images/mine/7txd) | Cryo-EM structure of BG505 SOSIP HIV-1 Env trimer in complex with CD4 receptor (D1D2) and broadly neutralizing darpin bnD.9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Broadly neutralizing darpin bnd.9, ... | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2022-02-08 | Release date: | 2023-04-12 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization. Nat.Struct.Mol.Biol., 30, 2023
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4WLJ
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![BU of 4wlj by Molmil](/molmil-images/mine/4wlj) | High resolution crystal structure of human kynurenine aminotransferase-I in complex with aminooxyacetate | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Kynurenine--oxoglutarate transaminase 1 | Authors: | Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B. | Deposit date: | 2014-10-07 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | High resolution crystal structures of human kynurenine aminotransferase-I bound to PLP cofactor, and in complex with aminooxyacetate. Protein Sci., 26, 2017
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6OGJ
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![BU of 6ogj by Molmil](/molmil-images/mine/6ogj) | MeCP2 MBD in complex with DNA | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*GP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*CP*AP*CP*TP*CP*CP*G)-3'), Methyl-CpG-binding protein 2, ... | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-02 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain. Biochim Biophys Acta Gene Regul Mech, 1862, 2019
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6OI9
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![BU of 6oi9 by Molmil](/molmil-images/mine/6oi9) | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | Deposit date: | 2019-04-09 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J.Med.Chem., 62, 2019
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5ZWZ
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![BU of 5zwz by Molmil](/molmil-images/mine/5zwz) | |
5HWY
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![BU of 5hwy by Molmil](/molmil-images/mine/5hwy) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-01-29 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger Nat.Struct.Mol.Biol., 23, 2016
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4WQF
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![BU of 4wqf by Molmil](/molmil-images/mine/4wqf) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G and fusidic acid in the post-translocational state | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Lin, J, Gagnon, M.G, Steitz, T.A. | Deposit date: | 2014-10-21 | Release date: | 2015-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Changes of Elongation Factor G on the Ribosome during tRNA Translocation. Cell, 160, 2015
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7CR7
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![BU of 7cr7 by Molmil](/molmil-images/mine/7cr7) | human KCNQ2-CaM in complex with retigabine | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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4WFJ
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![BU of 4wfj by Molmil](/molmil-images/mine/4wfj) | Crystal structure of PET-degrading cutinase Cut190 S226P mutant in Ca(2+)-bound state at 1.75 angstrom resolution | Descriptor: | CALCIUM ION, CHLORIDE ION, Cutinase | Authors: | Miyakawa, T, Mizushima, H, Ohtsuka, J, Oda, M, Kawai, F, Tanokura, M. | Deposit date: | 2014-09-15 | Release date: | 2014-12-24 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the Ca(2+)-enhanced thermostability and activity of PET-degrading cutinase-like enzyme from Saccharomonospora viridis AHK190. Appl.Microbiol.Biotechnol., 99, 2015
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4WFK
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![BU of 4wfk by Molmil](/molmil-images/mine/4wfk) | Crystal structure of PET-degrading cutinase Cut190 S226P mutant in Ca(2+)-bound state at 2.35 angstrom resolution | Descriptor: | CALCIUM ION, CHLORIDE ION, Cutinase | Authors: | Miyakawa, T, Mizushima, H, Ohtsuka, J, Oda, M, Kawai, F, Tanokura, M. | Deposit date: | 2014-09-15 | Release date: | 2014-12-24 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the Ca(2+)-enhanced thermostability and activity of PET-degrading cutinase-like enzyme from Saccharomonospora viridis AHK190. Appl.Microbiol.Biotechnol., 99, 2015
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1DRA
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![BU of 1dra by Molmil](/molmil-images/mine/1dra) | |