4GEI
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![BU of 4gei by Molmil](/molmil-images/mine/4gei) | N-terminal domain of VDUP-1 | Descriptor: | Thioredoxin-interacting protein | Authors: | Polekhina, G, Kok, S.F, Ascher, D.B, Waltham, M. | Deposit date: | 2012-08-02 | Release date: | 2013-02-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the N-terminal domain of human thioredoxin-interacting protein. Acta Crystallogr.,Sect.D, 69, 2013
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2RLZ
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![BU of 2rlz by Molmil](/molmil-images/mine/2rlz) | Solid-State MAS NMR structure of the dimer Crh | Descriptor: | HPr-like protein crh | Authors: | Loquet, A, Bardiaux, B, Gardiennet, C, Blanchet, C, Baldus, M, Nilges, M, Malliavin, T, Bockmann, A. | Deposit date: | 2007-09-04 | Release date: | 2008-06-17 | Last modified: | 2024-05-29 | Method: | SOLID-STATE NMR | Cite: | 3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints. J.Am.Chem.Soc., 130, 2008
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2RMQ
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![BU of 2rmq by Molmil](/molmil-images/mine/2rmq) | Solution structure of fully modified 4'-thioDNA with the sequence of d(CGCGAATTCGCG) | Descriptor: | DNA (5'-D(*(C4S)P*(S4G)P*(C4S)P*(S4G)P*(S4A)P*(S4A)P*(T49)P*(T49)P*(C4S)P*(S4G)P*(C4S)P*(S4G))-3') | Authors: | Matsugami, A, Ohyama, T, Inada, M, Katahira, M. | Deposit date: | 2007-11-12 | Release date: | 2008-04-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Unexpected A-form formation of 4'-thioDNA in solution, revealed by NMR, and the implications as to the mechanism of nuclease resistance Nucleic Acids Res., 36, 2008
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2SGP
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![BU of 2sgp by Molmil](/molmil-images/mine/2sgp) | PRO 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | Descriptor: | OVOMUCOID INHIBITOR, PHOSPHATE ION, PROTEINASE B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2001-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I J.Mol.Biol., 305, 2001
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7D9X
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![BU of 7d9x by Molmil](/molmil-images/mine/7d9x) | Highly active mutant W525D of Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens | Descriptor: | GAMMA-BUTYROLACTONE, GLYCEROL, GLYCINE, ... | Authors: | Hibi, T, Sano, C, Itoh, T, Wakayama, M. | Deposit date: | 2020-10-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Mutagenesis and structure-based analysis of the role of Tryptophan525 of gamma-glutamyltranspeptidase from Pseudomonas nitroreducens. Biochem.Biophys.Res.Commun., 534, 2021
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7D9E
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![BU of 7d9e by Molmil](/molmil-images/mine/7d9e) | Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens complexed with L-DON | Descriptor: | 6-DIAZENYL-5-OXO-L-NORLEUCINE, GLYCEROL, Gamma-glutamyltransferase 1 Threonine peptidase. MEROPS family T03 | Authors: | Hibi, T, Sano, C, Itoh, T, Wakayama, M. | Deposit date: | 2020-10-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mutagenesis and structure-based analysis of the role of Tryptophan525 of gamma-glutamyltranspeptidase from Pseudomonas nitroreducens. Biochem.Biophys.Res.Commun., 534, 2021
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7D9W
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![BU of 7d9w by Molmil](/molmil-images/mine/7d9w) | Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens complexed with L-DON | Descriptor: | 6-DIAZENYL-5-OXO-L-NORLEUCINE, GLYCINE, Gamma-glutamyltransferase 1 Threonine peptidase. MEROPS family T03 | Authors: | Hibi, T, Sano, C, Putthapong, P, Hayashi, J, Itoh, T, Wakayama, M. | Deposit date: | 2020-10-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mutagenesis and structure-based analysis of the role of Tryptophan525 of gamma-glutamyltranspeptidase from Pseudomonas nitroreducens. Biochem.Biophys.Res.Commun., 534, 2021
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2R77
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![BU of 2r77 by Molmil](/molmil-images/mine/2r77) | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum | Descriptor: | Phosphatidylethanolamine-binding protein, putative | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Crombette, L, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-07 | Release date: | 2007-09-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum. To be Published
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4UUQ
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![BU of 4uuq by Molmil](/molmil-images/mine/4uuq) | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
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4UWL
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![BU of 4uwl by Molmil](/molmil-images/mine/4uwl) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UWK
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![BU of 4uwk by Molmil](/molmil-images/mine/4uwk) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ... | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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6EB1
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![BU of 6eb1 by Molmil](/molmil-images/mine/6eb1) | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2018-08-03 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
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4GK7
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![BU of 4gk7 by Molmil](/molmil-images/mine/4gk7) | yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Stein, M.L, Bachmann, A. | Deposit date: | 2012-08-10 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity enhancement of the synthetic syrbactin proteasome inhibitor hybrid and biological evaluation in tumor cells. Biochemistry, 51, 2012
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2RPS
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![BU of 2rps by Molmil](/molmil-images/mine/2rps) | Solution structure of a novel insect chemokine isolated from integument | Descriptor: | Chemokine | Authors: | Kamiya, M, Nakatogawa, S, Oda, Y, Kamijima, T, Aizawa, T, Demura, M, Hayakawa, Y, Kawano, K. | Deposit date: | 2008-07-28 | Release date: | 2009-06-16 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | A novel peptide mediates aggregation and migration of hemocytes from an insect Curr.Biol., 19, 2009
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2RQA
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![BU of 2rqa by Molmil](/molmil-images/mine/2rqa) | Solution structure of LGP2 CTD | Descriptor: | ATP-dependent RNA helicase DHX58, ZINC ION | Authors: | Takahasi, K, Kumeta, H, Tsuduki, N, Narita, R, Shigemoto, T, Hirai, R, Yoneyama, M, Horiuchi, M, Ogura, K, Fujita, T, Fuyuhiko, I. | Deposit date: | 2009-03-17 | Release date: | 2009-05-05 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution Structures of Cytosolic RNA Sensor MDA5 and LGP2 C-terminal Domains: IDENTIFICATION OF THE RNA RECOGNITION LOOP IN RIG-I-LIKE RECEPTORS J.Biol.Chem., 284, 2009
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4GM2
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![BU of 4gm2 by Molmil](/molmil-images/mine/4gm2) | The crystal structure of a peptidase from plasmodium falciparum | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | El Bakkouri, M, Jung, P, Wernimont, A.K, Calmettes, C, Hui, R, Houry, W.A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-08-15 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum. J.Biol.Chem., 288, 2013
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2RDX
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![BU of 2rdx by Molmil](/molmil-images/mine/2rdx) | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Ozyurt, S, Gilmore, M, Lau, C, Maletic, M, Gheyi, T, Wasserman, S.R, Koss, J, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-25 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM. To be Published
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4WID
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![BU of 4wid by Molmil](/molmil-images/mine/4wid) | Crystal structure of the immediate-early 1 protein (IE1) at 2.31 angstrom (tetragonal form after crystal dehydration) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhUL123 | Authors: | Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T. | Deposit date: | 2014-09-25 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of Cytomegalovirus IE1 Protein Reveals Targeting of TRIM Family Member PML via Coiled-Coil Interactions. Plos Pathog., 10, 2014
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2RU7
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![BU of 2ru7 by Molmil](/molmil-images/mine/2ru7) | Refined structure of RNA aptamer in complex with the partial binding peptide of prion protein | Descriptor: | P16 peptide from Major prion protein, RNA_(5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3') | Authors: | Hayashi, T, Oshima, H, Mashima, T, Nagata, T, Katahira, M, Kinoshita, M. | Deposit date: | 2013-12-24 | Release date: | 2014-05-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Binding of an RNA aptamer and a partial peptide of a prion protein: crucial importance of water entropy in molecular recognition. Nucleic Acids Res., 42, 2014
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4WIB
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![BU of 4wib by Molmil](/molmil-images/mine/4wib) | Crystal structure of Magnesium transporter MgtE | Descriptor: | CALCIUM ION, Magnesium transporter MgtE | Authors: | Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O. | Deposit date: | 2014-09-25 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE Nat Commun, 5, 2014
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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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2ROK
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![BU of 2rok by Molmil](/molmil-images/mine/2rok) | Solution structure of the cap-binding domain of PARN complexed with the cap analog | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, poly(A)-specific ribonuclease | Authors: | Nagata, T, Suzuki, S, Endo, R, Shirouzu, M, Terada, T, Inoue, M, Kigawa, T, Guntert, P, Hayashizaki, Y, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-03-28 | Release date: | 2009-02-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The RRM domain of poly(A)-specific ribonuclease has a noncanonical binding site for mRNA cap analog recognition. Nucleic Acids Res., 36, 2008
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7D8T
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![BU of 7d8t by Molmil](/molmil-images/mine/7d8t) | MITF bHLHLZ complex with M-box DNA | Descriptor: | DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | Authors: | Guo, M, Fang, P, Wang, J. | Deposit date: | 2020-10-09 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy. Cell Res., 33, 2023
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2RR9
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![BU of 2rr9 by Molmil](/molmil-images/mine/2rr9) | The solution structure of the K63-Ub2:tUIMs complex | Descriptor: | Putative uncharacterized protein UIMC1, ubiquitin | Authors: | Sekiyama, N, Jee, J, Isogai, S, Akagi, K, Huang, T, Ariyoshi, M, Tochio, H, Shirakawa, M. | Deposit date: | 2010-06-16 | Release date: | 2011-07-06 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | The solution structure of the K63-Ub2:tUIMs complex To be Published
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7D8R
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![BU of 7d8r by Molmil](/molmil-images/mine/7d8r) | MITF HLHLZ structure | Descriptor: | Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | Authors: | Guo, M, Fang, P, Wang, J. | Deposit date: | 2020-10-09 | Release date: | 2021-10-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy. Cell Res., 33, 2023
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