5UJ5
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![BU of 5uj5 by Molmil](/molmil-images/mine/5uj5) | |
2B23
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![BU of 2b23 by Molmil](/molmil-images/mine/2b23) | Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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7UNZ
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![BU of 7unz by Molmil](/molmil-images/mine/7unz) | Crystal structure of H2 nanobody in complex with PfCSS | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scally, S.W, Cowman, A.F. | Deposit date: | 2022-04-12 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | PCRCR complex is essential for invasion of human erythrocytes by Plasmodium falciparum. Nat Microbiol, 7, 2022
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5MJO
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![BU of 5mjo by Molmil](/molmil-images/mine/5mjo) | Structure of Psb29 at 1.55A | Descriptor: | IODIDE ION, MERCURY (II) ION, Protein Thf1 | Authors: | Murray, J.W, Kozlo, A. | Deposit date: | 2016-12-01 | Release date: | 2017-08-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of Psb29/Thf1 and its association with the FtsH protease complex involved in photosystem II repair in cyanobacteria. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 372, 2017
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4AGD
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![BU of 4agd by Molmil](/molmil-images/mine/4agd) | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide) | Descriptor: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | Deposit date: | 2012-01-26 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
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5MJW
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![BU of 5mjw by Molmil](/molmil-images/mine/5mjw) | Structure of Psb29 at 1.55A | Descriptor: | Protein Thf1 | Authors: | Murray, J.W, Kozlo, A. | Deposit date: | 2016-12-02 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure of Psb29/Thf1 and its association with the FtsH protease complex involved in photosystem II repair in cyanobacteria. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 372, 2017
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5URS
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![BU of 5urs by Molmil](/molmil-images/mine/5urs) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P178 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-12 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P178 To Be Published
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7MJH
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![BU of 7mjh by Molmil](/molmil-images/mine/7mjh) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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1Z0N
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![BU of 1z0n by Molmil](/molmil-images/mine/1z0n) | the glycogen-binding domain of the AMP-activated protein kinase | Descriptor: | 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose) | Authors: | Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W. | Deposit date: | 2005-03-02 | Release date: | 2005-10-25 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase. Structure, 13, 2005
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2B3F
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![BU of 2b3f by Molmil](/molmil-images/mine/2b3f) | Thermus thermophilus Glucose/Galactose Binding Protein Bound With Galactose | Descriptor: | beta-D-galactopyranose, glucose-binding protein | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | Deposit date: | 2005-09-20 | Release date: | 2006-07-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites. J.Mol.Biol., 362, 2006
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4HZH
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![BU of 4hzh by Molmil](/molmil-images/mine/4hzh) | Structure of recombinant Gla-domainless prothrombin mutant S525A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. | Deposit date: | 2012-11-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation. J.Biol.Chem., 288, 2013
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7MJJ
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![BU of 7mjj by Molmil](/molmil-images/mine/7mjj) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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4A1T
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![BU of 4a1t by Molmil](/molmil-images/mine/4a1t) | Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | Deposit date: | 2011-09-19 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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4I11
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![BU of 4i11 by Molmil](/molmil-images/mine/4i11) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4AA6
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![BU of 4aa6 by Molmil](/molmil-images/mine/4aa6) | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation | Descriptor: | 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP *CP*TP*TP*A)-3', ESTROGEN RECEPTOR, ... | Authors: | Schwabe, J.W, Chapman, L, Rhodes, D. | Deposit date: | 2011-11-30 | Release date: | 2011-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation. Structure, 3, 1995
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1DAD
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![BU of 1dad by Molmil](/molmil-images/mine/1dad) | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE | Authors: | Huang, W, Jia, J, Schneider, G, Lindqvist, Y. | Deposit date: | 1995-05-08 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate. Biochemistry, 34, 1995
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4AB3
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![BU of 4ab3 by Molmil](/molmil-images/mine/4ab3) | ATP-triggered molecular mechanics of the chaperonin GroEL | Descriptor: | 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R. | Deposit date: | 2011-12-06 | Release date: | 2012-12-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin. Cell(Cambridge,Mass.), 149, 2012
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7MJK
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![BU of 7mjk by Molmil](/molmil-images/mine/7mjk) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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4EPR
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![BU of 4epr by Molmil](/molmil-images/mine/4epr) | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
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4EPW
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![BU of 4epw by Molmil](/molmil-images/mine/4epw) | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | Descriptor: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. Angew.Chem.Int.Ed.Engl., 51, 2012
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7MJM
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![BU of 7mjm by Molmil](/molmil-images/mine/7mjm) | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | Deposit date: | 2021-04-20 | Release date: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies. Plos Biol., 19, 2021
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3THU
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![BU of 3thu by Molmil](/molmil-images/mine/3thu) | Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-08-19 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg to be published
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2B5V
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![BU of 2b5v by Molmil](/molmil-images/mine/2b5v) | Crystal structure of glucose dehydrogenase from Haloferax mediterranei | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, glucose dehydrogenase | Authors: | Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W. | Deposit date: | 2005-09-29 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1DNP
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![BU of 1dnp by Molmil](/molmil-images/mine/1dnp) | STRUCTURE OF DEOXYRIBODIPYRIMIDINE PHOTOLYASE | Descriptor: | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA PHOTOLYASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Park, H.-W, Sancar, A, Deisenhofer, J. | Deposit date: | 1995-07-03 | Release date: | 1996-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of DNA photolyase from Escherichia coli. Science, 268, 1995
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3UNW
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![BU of 3unw by Molmil](/molmil-images/mine/3unw) | Crystal Structure of Human GAC in Complex with Glutamate | Descriptor: | GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial | Authors: | DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wie, W, Hurov, J. | Deposit date: | 2011-11-16 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Full-length human glutaminase in complex with an allosteric inhibitor. Biochemistry, 50, 2011
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