6UT2
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![BU of 6ut2 by Molmil](/molmil-images/mine/6ut2) | 3D structure of the leiomodin/tropomyosin binding interface | Descriptor: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | Authors: | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | Deposit date: | 2019-10-29 | Release date: | 2020-09-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments. Plos Biol., 18, 2020
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3CGD
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![BU of 3cgd by Molmil](/molmil-images/mine/3cgd) | |
8F94
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3CLZ
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![BU of 3clz by Molmil](/molmil-images/mine/3clz) | The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA | Descriptor: | 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-20 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1. Nature, 455, 2008
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1BHH
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![BU of 1bhh by Molmil](/molmil-images/mine/1bhh) | FREE P56LCK SH2 DOMAIN | Descriptor: | P56 LCK TYROSINE KINASE SH2 DOMAIN, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK | Authors: | Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S. | Deposit date: | 1998-06-08 | Release date: | 1998-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding. J.Biol.Chem., 273, 1998
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2SAM
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![BU of 2sam by Molmil](/molmil-images/mine/2sam) | STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR | Descriptor: | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL, SIV PROTEASE | Authors: | Rose, R.B, Rose, J.R, Salto, R, Craik, C.S, Stroud, R.M. | Deposit date: | 1994-07-08 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the protease from simian immunodeficiency virus: complex with an irreversible nonpeptide inhibitor. Biochemistry, 32, 1993
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3O2X
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![BU of 3o2x by Molmil](/molmil-images/mine/3o2x) | MMP-13 in complex with selective tetrazole core inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Collagenase 3, ... | Authors: | Kiefer, J.R, Barta, T.E, Becker, D.P, Mathis, K.J, Williams, J. | Deposit date: | 2010-07-22 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MMP-13 in complex with selective tetrazole core inhibitor To be Published
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3CV1
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2RN7
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![BU of 2rn7 by Molmil](/molmil-images/mine/2rn7) | NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125 | Descriptor: | IS629 orfA | Authors: | Ramelot, T.A, Cort, J.R, Semesi, A, Garcia, M, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-12-08 | Release date: | 2008-01-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structure of TnpE protein from Shigella flexneri. Northeast
Structural Genomics Target SfR125 To be Published
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2LV2
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![BU of 2lv2 by Molmil](/molmil-images/mine/2lv2) | Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B | Descriptor: | Insulinoma-associated protein 1, ZINC ION | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-27 | Release date: | 2012-10-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural
Genomics Consortium Target HR7614B (CASP Target) To be Published
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2M4H
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![BU of 2m4h by Molmil](/molmil-images/mine/2m4h) | Solution structure of the Core Domain (10-76) of the Feline Calicivirus VPg protein | Descriptor: | Feline Calicivirus VPg protein | Authors: | Kwok, R.N, Leen, E.N, Birtley, J.R, Prater, S.N, Simpson, P.J, Curry, S, Matthews, S, Marchant, J. | Deposit date: | 2013-02-05 | Release date: | 2013-03-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins. J.Virol., 87, 2013
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8FB4
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![BU of 8fb4 by Molmil](/molmil-images/mine/8fb4) | Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3') | Authors: | Terrell, J.R, Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-29 | Release date: | 2023-02-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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3O8C
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6UYB
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![BU of 6uyb by Molmil](/molmil-images/mine/6uyb) | Crystal structure of TEAD2 bound to Compound 1 | Descriptor: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | Deposit date: | 2019-11-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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2MA5
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![BU of 2ma5 by Molmil](/molmil-images/mine/2ma5) | Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C | Descriptor: | Lysine-specific demethylase 5B, ZINC ION | Authors: | Hassan, F, Ramelot, T.A, Yang, Y, Cort, J.R, Janjua, H, Kohan, E, Lee, D, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-28 | Release date: | 2013-08-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of PHD type Zinc finger domain of Lysine-specific
demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural
Genomics Consortium (NESG) Target HR7375C To be Published
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3O8D
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3F0N
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![BU of 3f0n by Molmil](/molmil-images/mine/3f0n) | Mus Musculus Mevalonate Pyrophosphate Decarboxylase | Descriptor: | MEVALONATE PYROPHOSPHATE DECARBOXYLASE, PHOSPHATE ION | Authors: | Walker, J.R, Davis, T, Vesterberg, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-25 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Mus Musculus Mevalonate Pyrophosphate Decarboxylase To be Published
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3F5K
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![BU of 3f5k by Molmil](/molmil-images/mine/3f5k) | Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | Deposit date: | 2008-11-03 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
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6V62
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![BU of 6v62 by Molmil](/molmil-images/mine/6v62) | SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2019-12-04 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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1BKL
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![BU of 1bkl by Molmil](/molmil-images/mine/1bkl) | SELF-ASSOCIATED APO SRC SH2 DOMAIN | Descriptor: | PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN | Authors: | Holland, D.R, Rubin, J.R. | Deposit date: | 1997-05-02 | Release date: | 1997-07-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel Pp60Src Sh2 Domain Crystal Structures: A 2.0 Angstrom Co-Crystal Structure of a D-Amino Acid Substituted Phosphopeptide Complex and a 2.1 Angstrom Apo Structure Displaying Self-Association To be Published
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6UTE
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![BU of 6ute by Molmil](/molmil-images/mine/6ute) | Crystal structure of Z032 Fab in complex with WNV EDIII | Descriptor: | Envelope domain III, GLYCEROL, Z032 Fab heavy chain, ... | Authors: | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UYA
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![BU of 6uya by Molmil](/molmil-images/mine/6uya) | Crystal structure of Compound 19 bound to IRAK4 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | Deposit date: | 2019-11-12 | Release date: | 2019-11-20 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity. Acs Med.Chem.Lett., 11, 2020
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3NRU
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![BU of 3nru by Molmil](/molmil-images/mine/3nru) | Ligand binding domain of EPHA7 | Descriptor: | CHLORIDE ION, Ephrin receptor, SULFATE ION | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | Deposit date: | 2010-06-30 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ephrin A7 ligand binding domain To be Published
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3F5X
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![BU of 3f5x by Molmil](/molmil-images/mine/3f5x) | CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-11-04 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor. Bioorg.Med.Chem.Lett., 19, 2009
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*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 (2.74 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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