4BAY
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![BU of 4bay by Molmil](/molmil-images/mine/4bay) | Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1 | Authors: | Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E. | Deposit date: | 2012-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Phosphorylation of Neuronal Lysine-Specific Demethylase 1Lsd1/Kdm1A Impairs Transcriptional Repression by Regulating Interaction with Corest and Histone Deacetylases Hdac1/2. J.Neurochem., 128, 2014
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4BCB
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![BU of 4bcb by Molmil](/molmil-images/mine/4bcb) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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8BQO
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![BU of 8bqo by Molmil](/molmil-images/mine/8bqo) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I | Descriptor: | CHLORIDE ION, GLYCEROL, Isoaspartyl peptidase subunit alpha, ... | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-21 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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1NEW
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![BU of 1new by Molmil](/molmil-images/mine/1new) | Cytochrome C551.5, NMR | Descriptor: | CYTOCHROME C551.5, HEME C | Authors: | Assfalg, M, Banci, L, Bertini, I, Bruschi, M, Turano, P. | Deposit date: | 1998-02-10 | Release date: | 1998-04-29 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | 800 MHz 1H NMR solution structure refinement of oxidized cytochrome c7 from Desulfuromonas acetoxidans. Eur.J.Biochem., 256, 1998
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4BDB
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![BU of 4bdb by Molmil](/molmil-images/mine/4bdb) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4B66
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![BU of 4b66 by Molmil](/molmil-images/mine/4b66) | A. fumigatus ornithine hydroxylase (SidA), reduced state bound to NADP and Arg | Descriptor: | ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A. | Deposit date: | 2012-08-09 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases. Biochemistry, 51, 2012
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4BE6
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![BU of 4be6 by Molmil](/molmil-images/mine/4be6) | |
4BFL
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4B8W
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![BU of 4b8w by Molmil](/molmil-images/mine/4b8w) | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-08-31 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form To be Published
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2K1Y
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![BU of 2k1y by Molmil](/molmil-images/mine/2k1y) | Solution Structure of Duplex DNA Containing the Mutagenic Lesion: 1,N2-Etheno-2'-deoxyguanine | Descriptor: | 5'-D(*DCP*DGP*DTP*DAP*DCP*(GNE)P*DCP*DAP*DTP*DGP*DC)-3', 5'-D(*DGP*DCP*DAP*DTP*DGP*DCP*DGP*DTP*DAP*DCP*DG)-3' | Authors: | Zaliznyak, T, Lukin, M, Johnson, F, de los Santos, C. | Deposit date: | 2008-03-18 | Release date: | 2009-02-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of duplex DNA containing the mutagenic lesion 1,N(2)-etheno-2'-deoxyguanine. Biochemistry, 47, 2008
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4YPQ
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![BU of 4ypq by Molmil](/molmil-images/mine/4ypq) | Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | Authors: | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | Deposit date: | 2015-03-13 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
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4AYD
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![BU of 4ayd by Molmil](/molmil-images/mine/4ayd) | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 1 R106A mutant | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | Authors: | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | Deposit date: | 2012-06-20 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules Plos Pathog., 8, 2012
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4DGI
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![BU of 4dgi by Molmil](/molmil-images/mine/4dgi) | Structure of POM1 FAB fragment complexed with human PrPc Fragment 120-230 | Descriptor: | Major prion protein, POM1 Fab Heavy chain, POM1 Fab Light chain, ... | Authors: | Baral, P.K, Wieland, B, Swayampakula, M, James, M.N. | Deposit date: | 2012-01-26 | Release date: | 2012-10-31 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies on the folded domain of the human prion protein bound to the Fab fragment of the antibody POM1. Acta Crystallogr.,Sect.D, 68, 2012
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4BF2
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![BU of 4bf2 by Molmil](/molmil-images/mine/4bf2) | Crystal Structures of Ask1-inhibitor Complexes | Descriptor: | ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ... | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | Deposit date: | 2013-03-13 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | Deposit date: | 2022-10-17 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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4B1B
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![BU of 4b1b by Molmil](/molmil-images/mine/4b1b) | Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE | Authors: | Boumis, G, Giardina, G, Dimastrogiovanni, D, Angelucci, F, Saccoccia, F, Brunori, M, Bellelli, A, Miele, A.E. | Deposit date: | 2012-07-09 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target. Biochem.Biophys.Res.Commun., 425, 2012
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6F2X
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![BU of 6f2x by Molmil](/molmil-images/mine/6f2x) | Structural characterization of the Mycobacterium tuberculosis Protein Tyrosine Kinase A (PtkA) | Descriptor: | Protein Tyrosine Kinase A | Authors: | Niesteruk, A, Jonker, H.R.A, Sreeramulu, S, Richter, C, Hutchison, M, Linhard, V, Schwalbe, H. | Deposit date: | 2017-11-27 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The domain architecture of PtkA, the first tyrosine kinase fromMycobacterium tuberculosis, differs from the conventional kinase architecture. J. Biol. Chem., 293, 2018
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478D
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2JXX
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![BU of 2jxx by Molmil](/molmil-images/mine/2jxx) | NMR solution structure of Ubiquitin-like domain of NFATC2IP. Northeast Structural Genomics Consortium target HR5627 | Descriptor: | NFATC2-interacting protein | Authors: | Doherty, R.S, Dhe-Paganon, S, Fares, C, Lemak, A, Butler, C, Srisailam, S, Karra, M, Yee, A, Edwards, A.M, Weigelt, J, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-30 | Release date: | 2007-12-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of Ubiquitin-like domain of NFATC2IP. TO BE PUBLISHED
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4AM7
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![BU of 4am7 by Molmil](/molmil-images/mine/4am7) | ADP-BOUND C-TERMINAL DOMAIN OF ACTIN-RELATED PROTEIN ARP8 FROM S. CEREVISIAE | Descriptor: | ACTIN-LIKE PROTEIN ARP8, ADENOSINE-5'-DIPHOSPHATE | Authors: | Wuerges, J, Saravanan, M, Bose, D, Cook, N.J, Zhang, X, Wigley, D.B. | Deposit date: | 2012-03-07 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Interactions between the Nucleosome Histone Core and Arp8 in the Ino80 Chromatin Remodeling Complex. Proc.Natl.Acad.Sci.USA, 109, 2012
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1NDL
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![BU of 1ndl by Molmil](/molmil-images/mine/1ndl) | THE AWD NUCLEOTIDE DIPHOSPHATE KINASE FROM DROSOPHILA | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Janin, J, Chiadmi, M, Dumas, C, Lascu, I, Lebras, G, Morera, S, Veron, M. | Deposit date: | 1993-11-27 | Release date: | 1994-04-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the Awd nucleotide diphosphate kinase from Drosophila. Structure, 1, 1993
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4AAS
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![BU of 4aas by Molmil](/molmil-images/mine/4aas) | 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: | 2011-12-05 | 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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4ANJ
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![BU of 4anj by Molmil](/molmil-images/mine/4anj) | MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CALMODULIN, ... | Authors: | Menetrey, J, Isabet, T, Ropars, V, Mukherjea, M, Pylypenko, O, Liu, X, Perez, J, Vachette, P, Sweeney, H.L, Houdusse, A.M. | Deposit date: | 2012-03-19 | Release date: | 2012-10-17 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi. Mol.Cell, 48, 2012
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2JBX
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![BU of 2jbx by Molmil](/molmil-images/mine/2jbx) | Crystal Structure of the myxoma virus anti-apoptotic protein M11L | Descriptor: | M11L PROTEIN | Authors: | Kvansakul, M, Van Delft, M.F, Lee, E.F, Gulbis, J.M, Fairlie, W.D, Huang, D.C.S, Colman, P.M. | Deposit date: | 2006-12-14 | Release date: | 2007-03-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A Structural Viral Mimic of Prosurvival Bcl-2: A Pivotal Role for Sequestering Proapoptotic Bax and Bak. Mol.Cell, 25, 2007
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434D
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![BU of 434d by Molmil](/molmil-images/mine/434d) | 5'-R(*UP*AP*GP*CP*UP*CP*C)-3', 5'-R(*GP*GP*GP*GP*CP*UP*A)-3' | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3'), SODIUM ION, ... | Authors: | Mueller, U, Schuebel, H, Sprinzl, M, Heinemann, U. | Deposit date: | 1998-10-23 | Release date: | 1999-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystal structure of acceptor stem of tRNA(Ala) from Escherichia coli shows unique G.U wobble base pair at 1.16 A resolution. RNA, 5, 1999
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