3ISE
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![BU of 3ise by Molmil](/molmil-images/mine/3ise) | Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A Resolution | Descriptor: | Bacterioferritin, FE (III) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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6H2E
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6SCZ
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![BU of 6scz by Molmil](/molmil-images/mine/6scz) | Mycobacterium tuberculosis alanine racemase inhibited by DCS | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S. | Deposit date: | 2019-07-26 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition. Nat.Chem.Biol., 16, 2020
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5FZ6
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![BU of 5fz6 by Molmil](/molmil-images/mine/5fz6) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ... | 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: | 2016-03-11 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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6GYK
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![BU of 6gyk by Molmil](/molmil-images/mine/6gyk) | Structure of a yeast closed complex (core CC1) | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Dienemann, C, Schwalb, B, Schilbach, S, Cramer, P. | Deposit date: | 2018-06-30 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Promoter Distortion and Opening in the RNA Polymerase II Cleft. Mol. Cell, 73, 2019
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6GXM
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![BU of 6gxm by Molmil](/molmil-images/mine/6gxm) | Cryo-EM structure of an E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and Pint-tRNA (State II) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N. | Deposit date: | 2018-06-27 | Release date: | 2018-08-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1. Nat Commun, 9, 2018
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6EU1
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![BU of 6eu1 by Molmil](/molmil-images/mine/6eu1) | RNA Polymerase III - open DNA complex (OC-POL3). | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Abascal-Palacios, G, Ramsay, E.P, Beuron, F, Morris, E, Vannini, A. | Deposit date: | 2017-10-27 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of RNA polymerase III transcription initiation. Nature, 553, 2018
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5IT3
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![BU of 5it3 by Molmil](/molmil-images/mine/5it3) | Swirm domain of human Lsd1 | Descriptor: | Lysine-specific histone demethylase 1A, MAGNESIUM ION | Authors: | Jeffrey, P.D, Yuan, P. | Deposit date: | 2016-03-16 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Tlx-interacting peptide of Lsd1 inhibits the proliferation of brain tumor stem cells To Be Published
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2VUM
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![BU of 2vum by Molmil](/molmil-images/mine/2vum) | Alpha-amanitin inhibited complete RNA polymerase II elongation complex | Descriptor: | 5'-D(*AP*AP*AP*CP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *GP*TP*TP*AP*CP*GP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | Authors: | Brueckner, F, Cramer, P. | Deposit date: | 2008-05-27 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis of Transcription Inhibition by Alpha-Amanitin and Implications for RNA Polymerase II Translocation. Nat.Struct.Mol.Biol., 15, 2008
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7NLV
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![BU of 7nlv by Molmil](/molmil-images/mine/7nlv) | WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin | Authors: | Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines. Org.Biomol.Chem., 19, 2021
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5FPT
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![BU of 5fpt by Molmil](/molmil-images/mine/5fpt) | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site. | Descriptor: | (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | Authors: | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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7TL7
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![BU of 7tl7 by Molmil](/molmil-images/mine/7tl7) | 1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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5MVA
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7NMI
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5FZK
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![BU of 5fzk by Molmil](/molmil-images/mine/5fzk) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5- carboxamide (N10051a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, Collins, P, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment N,3-Dimethyl-N-(Pyridin-3-Ylmethyl)-1,2-Oxazole-5-Carboxamide (N10051A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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6HAW
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![BU of 6haw by Molmil](/molmil-images/mine/6haw) | Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | Authors: | Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2018-08-08 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties. ACS Med Chem Lett, 9, 2018
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8TUB
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![BU of 8tub by Molmil](/molmil-images/mine/8tub) | HLA B7:02 with HPNGYKSLSTL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | Deposit date: | 2023-08-16 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age. Nat Commun, 15, 2024
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7U9O
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![BU of 7u9o by Molmil](/molmil-images/mine/7u9o) | SARS-CoV-2 spike trimer RBD in complex with Fab NE12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ... | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | Deposit date: | 2022-03-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants. Cell Rep, 41, 2022
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8H8E
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![BU of 8h8e by Molmil](/molmil-images/mine/8h8e) | Structure of the dimeric Xenopus tropical acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (closed state) | Descriptor: | Proton-activated chloride channel, tRNA (75-MER)of Spodoptera frugiperda | Authors: | Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D. | Deposit date: | 2022-10-22 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure of the dimeric Xenopus tropical acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (closed state) To Be Published
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7NAK
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![BU of 7nak by Molmil](/molmil-images/mine/7nak) | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | Deposit date: | 2021-06-21 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules. Mol.Cell, 82, 2022
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5WV3
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![BU of 5wv3 by Molmil](/molmil-images/mine/5wv3) | Crystal structure of bovine lactoperoxidase with a partial Glu258-heme linkage at 2.07 A resolution. | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-02-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis of activation of mammalian heme peroxidases Prog. Biophys. Mol. Biol., 133, 2018
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2W9A
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![BU of 2w9a by Molmil](/molmil-images/mine/2w9a) | Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | Deposit date: | 2009-01-22 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes. J.Biol.Chem., 284, 2009
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6HHG
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![BU of 6hhg by Molmil](/molmil-images/mine/6hhg) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6MGN
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![BU of 6mgn by Molmil](/molmil-images/mine/6mgn) | mouse Id1 (51-104) - human hE47 (348-399) complex | Descriptor: | DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha | Authors: | Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y. | Deposit date: | 2018-09-14 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization. Cell Rep, 29, 2019
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5FYA
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![BU of 5fya by Molmil](/molmil-images/mine/5fya) | Cubic crystal of the native PlpD | Descriptor: | PATATIN-LIKE PROTEIN, PLPD | Authors: | Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A. | Deposit date: | 2016-03-04 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa. J.Mol.Biol., 428, 2016
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