5DLA
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![BU of 5dla by Molmil](/molmil-images/mine/5dla) | Structure of Tetragonal Lysozyme solved by UWO Students | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. | Deposit date: | 2015-09-04 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
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5DLC
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1W2O
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![BU of 1w2o by Molmil](/molmil-images/mine/1w2o) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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4R7A
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![BU of 4r7a by Molmil](/molmil-images/mine/4r7a) | Crystal Structure of RBBP4 bound to PHF6 peptide | Descriptor: | GLYCEROL, Histone-binding protein RBBP4, PHD finger protein 6 | Authors: | Liu, Z, Li, F, Zhang, B, Li, S, Wu, J, Shi, Y. | Deposit date: | 2014-08-27 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Plant Homeodomain Finger 6 (PHF6) Recognition by the Retinoblastoma Binding Protein 4 (RBBP4) Component of the Nucleosome Remodeling and Deacetylase (NuRD) Complex J.Biol.Chem., 290, 2015
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5FNU
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![BU of 5fnu by Molmil](/molmil-images/mine/5fnu) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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3MJW
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![BU of 3mjw by Molmil](/molmil-images/mine/3mjw) | PI3 Kinase gamma with a benzofuranone inhibitor | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Bard, J, Svenson, K. | Deposit date: | 2010-04-13 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg.Med.Chem.Lett., 20, 2010
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4R80
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![BU of 4r80 by Molmil](/molmil-images/mine/4r80) | Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486 | Descriptor: | OR486 | Authors: | Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-08-29 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486 To be Published
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4R3R
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![BU of 4r3r by Molmil](/molmil-images/mine/4r3r) | Crystal structures of EGFR in complex with Mig6 | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1' | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | Deposit date: | 2014-08-17 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6. Nat.Struct.Mol.Biol., 22, 2015
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5FO5
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![BU of 5fo5 by Molmil](/molmil-images/mine/5fo5) | Structure of the DNA-binding domain of Escherichia coli methionine biosynthesis regulator MetR | Descriptor: | 1,2-ETHANEDIOL, HTH-TYPE TRANSCRIPTIONAL REGULATOR METR, MAGNESIUM ION | Authors: | Punekar, A.S, Porter, J, Urbanowski, M.L, Stauffer, G.V, Carr, S.B, Phillips, S.E. | Deposit date: | 2015-11-18 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis for DNA Recognition by the Transcription Regulator Metr. Acta Crystallogr.,Sect.F, 72, 2016
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1AUL
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![BU of 1aul by Molmil](/molmil-images/mine/1aul) | SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*TP*AP*AP*TP*CP*A)-3'), DNA (5'-D(P*THXP*GP*AP*TP*TP*AP*TP*CP*TP*G)-3') | Authors: | Kumar, S, Reed, M.W, Gamper Junior, H.B, Gorn, V.V, Lukhtanov, E.A, Foti, M, West, J, Meyer Junior, R.B, Schweitzer, B.I. | Deposit date: | 1997-08-29 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a highly stable DNA duplex conjugated to a minor groove binder. Nucleic Acids Res., 26, 1998
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8HS0
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![BU of 8hs0 by Molmil](/molmil-images/mine/8hs0) | The mutant structure of DHAD V178W | Descriptor: | Dihydroxy-acid dehydratase, chloroplastic, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Zhou, J, Zang, X, Tang, Y, Yan, Y. | Deposit date: | 2022-12-16 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The mutant structure of DHAD To Be Published
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1XY8
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![BU of 1xy8 by Molmil](/molmil-images/mine/1xy8) | NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 | Descriptor: | SST1-selective somatosatin analog | Authors: | Grace, C.R.R, Durrer, L, Koerber, S.C, Erchegyi, J, Reubi, J.C, Rivier, J.E, Riek, R. | Deposit date: | 2004-11-09 | Release date: | 2005-02-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR J.Med.Chem., 48, 2005
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4QTU
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![BU of 4qtu by Molmil](/molmil-images/mine/4qtu) | Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (SAM bound form) | Descriptor: | 1,2-ETHANEDIOL, Multifunctional methyltransferase subunit TRM112, Putative methyltransferase BUD23, ... | Authors: | Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J. | Deposit date: | 2014-07-09 | Release date: | 2014-12-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes. Proc.Natl.Acad.Sci.USA, 111, 2014
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8H6K
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![BU of 8h6k by Molmil](/molmil-images/mine/8h6k) | Cryo-EM structure of human exon-defined spliceosome in the mature B state. | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zhang, W, Zhan, X, Zhang, X, Bai, R, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2022-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into human exon-defined spliceosome prior to activation. Cell Res., 34, 2024
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8H83
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![BU of 8h83 by Molmil](/molmil-images/mine/8h83) | Crystal structure of a IsPETase variant V22 from Ideonella sakaiensis | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Wei, H.L, Gao, S.F, Li, Q, Han, X, Gao, J, Liu, W.D. | Deposit date: | 2022-10-21 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of a IsPETase variant V22 from Ideonella sakaiensis to be published
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4R9N
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8HKN
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8HLJ
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1BTW
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1X87
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![BU of 1x87 by Molmil](/molmil-images/mine/1x87) | 2.4A X-ray structure of Urocanase protein complexed with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Urocanase protein | Authors: | Tereshko, V, Zaborske, J, Gilbreth, R, Dementieva, I, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-17 | Release date: | 2004-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2.4A X-ray structure of Urocanase protein complexed with NAD To be Published
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8HKO
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4RBM
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![BU of 4rbm by Molmil](/molmil-images/mine/4rbm) | Porphyromonas gingivalis gingipain K (Kgp) catalytic and immunoglobulin superfamily-like domains | Descriptor: | (3S)-3,7-diaminoheptan-2-one, ACETATE ION, AZIDE ION, ... | Authors: | de Diego, I, Veillard, F, Sztukowska, M.N, Guevara, T, Potempa, B, Pomowski, A, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2014-09-12 | Release date: | 2014-10-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Mechanism of Cysteine Peptidase Gingipain K (Kgp), a Major Virulence Factor of Porphyromonas gingivalis in Periodontitis. J.Biol.Chem., 289, 2014
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8HLQ
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8HKS
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![BU of 8hks by Molmil](/molmil-images/mine/8hks) | Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290) | Descriptor: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 2 | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2022-11-28 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib To Be Published
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5FRI
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![BU of 5fri by Molmil](/molmil-images/mine/5fri) | ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide, TGF-BETA RECEPTOR TYPE-1 | Authors: | Goldberg, F.W, Daunt, P, Pearson, S.E, Greenwood, R, Debreczeni, J, Grist, M. | Deposit date: | 2015-12-17 | Release date: | 2016-07-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimisation of a series of N-(4-anilino-2-pyridyl)acetamide activin receptor-like kinase 1 (ALK1) inhibitors Med. Chem. Commun., 7, 2016
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