5GVR
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![BU of 5gvr by Molmil](/molmil-images/mine/5gvr) | Crystal structure of the DDX41 DEAD domain in an apo closed form | Descriptor: | (2S)-2-hydroxybutanedioic acid, Probable ATP-dependent RNA helicase DDX41 | Authors: | Omura, H, Oikawa, D, Nakane, T, Kato, M, Ishii, R, Goto, Y, Suga, H, Ishitani, R, Tokunaga, F, Nureki, O. | Deposit date: | 2016-09-06 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Functional Analysis of DDX41: a bispecific immune receptor for DNA and cyclic dinucleotide Sci Rep, 6, 2016
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6CJI
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![BU of 6cji by Molmil](/molmil-images/mine/6cji) | Candida albicans Hsp90 nucleotide binding domain | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 90 homolog | Authors: | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-26 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
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5FZB
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![BU of 5fzb by Molmil](/molmil-images/mine/5fzb) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-12 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening) To be Published
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191D
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![BU of 191d by Molmil](/molmil-images/mine/191d) | CRYSTAL STRUCTURE OF INTERCALATED FOUR-STRANDED D(C3T) | Descriptor: | DNA (5'-D(*CP*CP*CP*T)-3'), SODIUM ION | Authors: | Kang, C, Berger, I, Lockshin, C, Ratliff, R, Moyzis, R, Rich, A. | Deposit date: | 1994-09-29 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of intercalated four-stranded d(C3T) at 1.4 angstroms resolution. Proc.Natl.Acad.Sci.USA, 91, 1994
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5NQ8
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![BU of 5nq8 by Molmil](/molmil-images/mine/5nq8) | Crystal structure of laccases from Pycnoporus sanguineus, izoform II | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, COPPER (II) ION, Laccase, ... | Authors: | Orlikowska, M, de J.Rostro-Alanis, M, Bujacz, A, Hernandez-Luna, C, Rubio, R, Parra, R, Bujacz, G. | Deposit date: | 2017-04-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. Int. J. Biol. Macromol., 107, 2018
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5N38
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![BU of 5n38 by Molmil](/molmil-images/mine/5n38) | S65DParkin and pUB complex | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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1CLW
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![BU of 1clw by Molmil](/molmil-images/mine/1clw) | TAILSPIKE PROTEIN FROM PHAGE P22, V331A MUTANT | Descriptor: | TAILSPIKE PROTEIN | Authors: | Steinbacher, S, Baxa, U, Weintraub, A, Huber, R, Seckler, R. | Deposit date: | 1999-05-04 | Release date: | 1999-11-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutations improving the folding of phage P22 tailspike protein affect its receptor binding activity. J.Mol.Biol., 293, 1999
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6BSM
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![BU of 6bsm by Molmil](/molmil-images/mine/6bsm) | BMP1 complexed with a reverse hydroxamate - compound 4 | Descriptor: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-04 | Release date: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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6BTO
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![BU of 6bto by Molmil](/molmil-images/mine/6bto) | BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | Descriptor: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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1CZ3
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![BU of 1cz3 by Molmil](/molmil-images/mine/1cz3) | DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA | Descriptor: | DIHYDROFOLATE REDUCTASE, SULFATE ION | Authors: | Dams, T, Auerbach, G, Bader, G, Ploom, T, Huber, R, Jaenicke, R. | Deposit date: | 1999-09-01 | Release date: | 2000-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability. J.Mol.Biol., 297, 2000
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6HHF
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![BU of 6hhf by Molmil](/molmil-images/mine/6hhf) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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4YWA
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![BU of 4ywa by Molmil](/molmil-images/mine/4ywa) | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.192 Å) | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol., 10, 2015
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1D1G
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![BU of 1d1g by Molmil](/molmil-images/mine/1d1g) | DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Dams, T, Auerbach, G, Bader, G, Ploom, T, Huber, R, Jaenicke, R. | Deposit date: | 1999-09-16 | Release date: | 2000-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability. J.Mol.Biol., 297, 2000
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5DL9
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![BU of 5dl9 by Molmil](/molmil-images/mine/5dl9) | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ... | 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 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
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1B5Q
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![BU of 1b5q by Molmil](/molmil-images/mine/1b5q) | A 30 ANGSTROM U-SHAPED CATALYTIC TUNNEL IN THE CRYSTAL STRUCTURE OF POLYAMINE OXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE, ... | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | Deposit date: | 1999-01-07 | Release date: | 2000-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A 30-angstrom-long U-shaped catalytic tunnel in the crystal structure of polyamine oxidase. Structure Fold.Des., 7, 1999
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5GMK
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![BU of 5gmk by Molmil](/molmil-images/mine/5gmk) | Cryo-EM structure of the Catalytic Step I spliceosome (C complex) at 3.4 angstrom resolution | Descriptor: | 5'-Exon, 5'-Splicing Site, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wan, R, Yan, C, Bai, R, Huang, G, Shi, Y. | Deposit date: | 2016-07-14 | Release date: | 2016-08-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a yeast catalytic step I spliceosome at 3.4 angstrom resolution Science, 353, 2016
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6CBE
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![BU of 6cbe by Molmil](/molmil-images/mine/6cbe) | Atomic structure of a rationally engineered gene delivery vector, AAV2.5 | Descriptor: | Capsid protein VP1 | Authors: | Burg, M, Rosebrough, C, Drouin, L, Bennett, A, Mietzsch, M, Chipman, P, McKenna, R, Sousa, D, Potter, M, Byrne, B, Kozyreva, O.G, Samulski, R.J, Agbandje-McKenna, M. | Deposit date: | 2018-02-02 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Atomic structure of a rationally engineered gene delivery vector, AAV2.5. J. Struct. Biol., 203, 2018
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6BTN
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![BU of 6btn by Molmil](/molmil-images/mine/6btn) | BMP1 complexed with a reverse hydroxymate - compound 1 | Descriptor: | (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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1B28
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![BU of 1b28 by Molmil](/molmil-images/mine/1b28) | ARC REPRESSOR MYL MUTANT FROM SALMONELLA BACTERIOPHAGE P22 | Descriptor: | PROTEIN (REGULATORY PROTEIN ARC) | Authors: | Rietveld, A.W.M, Nooren, I.M.A, Sauer, R.T, Kaptein, R, Boelens, R. | Deposit date: | 1998-12-05 | Release date: | 1999-11-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The solution structure and dynamics of an Arc repressor mutant reveal premelting conformational changes related to DNA binding. Biochemistry, 38, 1999
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3UOG
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![BU of 3uog by Molmil](/molmil-images/mine/3uog) | Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021 | Descriptor: | Alcohol dehydrogenase, SULFATE ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-11-16 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021 To be Published
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4AUA
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![BU of 4aua by Molmil](/molmil-images/mine/4aua) | Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) | Descriptor: | 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6 | Authors: | Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S. | Deposit date: | 2012-05-15 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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2VB0
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![BU of 2vb0 by Molmil](/molmil-images/mine/2vb0) | Crystal structure of coxsackievirus B3 proteinase 3C | Descriptor: | CHLORIDE ION, POLYPROTEIN 3BCD | Authors: | Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R. | Deposit date: | 2007-09-05 | Release date: | 2008-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Coxsackie Virus B3 Proteinase 3C To be Published
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6CPP
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![BU of 6cpp by Molmil](/molmil-images/mine/6cpp) | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | Descriptor: | CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Raag, R, Poulos, T.L. | Deposit date: | 1990-05-18 | Release date: | 1991-07-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation. Biochemistry, 30, 1991
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1D59
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![BU of 1d59 by Molmil](/molmil-images/mine/1d59) | CRYSTAL STRUCTURE OF 4-STRANDED OXYTRICHA TELOMERIC DNA | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3') | Authors: | Kang, C, Zhang, X, Ratliff, R, Moyzis, R, Rich, A. | Deposit date: | 1992-02-25 | Release date: | 1993-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of four-stranded Oxytricha telomeric DNA. Nature, 356, 1992
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5H2U
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![BU of 5h2u by Molmil](/molmil-images/mine/5h2u) | Crystal structure of PTK6 Kinase Domain complexed with Dasatinib | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Protein-tyrosine kinase 6 | Authors: | Thakur, M.K, Birudukota, S, Swaminathan, S, Tyagi, R, Gosu, R. | Deposit date: | 2016-10-18 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution Biochem. Biophys. Res. Commun., 482, 2017
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