8CV6
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![BU of 8cv6 by Molmil](/molmil-images/mine/8cv6) | Peptide 4.2B in complex with BRD4.2 | Descriptor: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | Authors: | Franck, C, Mackay, J.P. | Deposit date: | 2022-05-18 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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6VMJ
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5V0O
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![BU of 5v0o by Molmil](/molmil-images/mine/5v0o) | RNA hairpin structure containing 2-MeImpG analogue bound | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (25-MER), RNA (5'-R(*GP*CP*AP*CP*CP*UP*CP*A)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide. J. Am. Chem. Soc., 140, 2018
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5JAG
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![BU of 5jag by Molmil](/molmil-images/mine/5jag) | LeuT T354H mutant in the outward-oriented, Na+-free Return State | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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6BT1
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![BU of 6bt1 by Molmil](/molmil-images/mine/6bt1) | Structure of the human Nocturnin catalytic domain | Descriptor: | MAGNESIUM ION, Nocturnin | Authors: | Abshire, E.T, Chasseur, J, Del Rizzo, P, Trievel, R. | Deposit date: | 2017-12-04 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The structure of human Nocturnin reveals a conserved ribonuclease domain that represses target transcript translation and abundance in cells. Nucleic Acids Res., 46, 2018
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3OYI
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![BU of 3oyi by Molmil](/molmil-images/mine/3oyi) | Crystal structure of the PFV S217Q mutant intasome in complex with manganese | Descriptor: | AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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4YLI
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![BU of 4yli by Molmil](/molmil-images/mine/4yli) | CL-K1 trimer | Descriptor: | CALCIUM ION, CHLORIDE ION, Collectin-11, ... | Authors: | Wallis, R, Girija, U.V, Gingras, A.R, Moody, P.C.E, Marshall, J.E. | Deposit date: | 2015-03-05 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome. Bmc Biol., 13, 2015
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1GHA
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![BU of 1gha by Molmil](/molmil-images/mine/1gha) | A SECOND ACTIVE SITE IN CHYMOTRYPSIN? THE X-RAY CRYSTAL STRUCTURE OF N-ACETYL-D-TRYPTOPHAN BOUND TO GAMMA-CHYMOTRYPSIN | Descriptor: | GAMMA-CHYMOTRYPSIN A, ISOPROPYL ALCOHOL, PRO GLY VAL TYR PEPTIDE, ... | Authors: | Yennawar, H.P, Yennawar, N.H, Farber, G.K. | Deposit date: | 1994-04-06 | Release date: | 1994-06-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A STRUCTURAL EXPLANATION FOR ENZYME MEMORY IN NONAQUEOUS SOLVENTS. J.Am.Chem.Soc., 117, 1995
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6GAS
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4YQG
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![BU of 4yqg by Molmil](/molmil-images/mine/4yqg) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Williams, S.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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5JAF
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![BU of 5jaf by Molmil](/molmil-images/mine/5jaf) | LeuT Na+-free Return State, C2 form at pH 5 | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.021 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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6G9X
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![BU of 6g9x by Molmil](/molmil-images/mine/6g9x) | Crystal structure of a MFS transporter at 2.54 Angstroem resolution | Descriptor: | 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ... | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-04-11 | Release date: | 2019-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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7LYJ
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![BU of 7lyj by Molmil](/molmil-images/mine/7lyj) | SARS-CoV-2 frameshifting pseudoknot RNA | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Jones, C.P, Ferre-D'Amare, A.R. | Deposit date: | 2021-03-07 | Release date: | 2021-05-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) frameshifting pseudoknot. Rna, 28, 2022
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6N8D
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6PTY
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![BU of 6pty by Molmil](/molmil-images/mine/6pty) | Soluble model of human CuA (Tt3Lh) | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ... | Authors: | Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
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6ZV9
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![BU of 6zv9 by Molmil](/molmil-images/mine/6zv9) | Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | Descriptor: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | Authors: | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | Deposit date: | 2020-07-24 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PTA
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![BU of 6pta by Molmil](/molmil-images/mine/6pta) | Crystal structure of the ARF family small GTPase ARF1 from Candida albicans in complex with GDP | Descriptor: | ADP-ribosylation factor, GUANOSINE-5'-DIPHOSPHATE | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-15 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the ARF family small GTPase ARF1 from Candida albicans in complex with GDP To Be Published
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6W98
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![BU of 6w98 by Molmil](/molmil-images/mine/6w98) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ... | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-22 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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1YIH
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![BU of 1yih by Molmil](/molmil-images/mine/1yih) | T-to-T(High) quaternary transitions in human hemoglobin: betaP100A oxy (2.2MM IHP, 20% PEG) (1 test set) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2005-01-11 | Release date: | 2005-01-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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5U0T
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![BU of 5u0t by Molmil](/molmil-images/mine/5u0t) | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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3PJR
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![BU of 3pjr by Molmil](/molmil-images/mine/3pjr) | HELICASE SUBSTRATE COMPLEX | Descriptor: | 5'-D(*CP*GP*AP*GP*CP*AP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*GP*CP*TP*CP*GP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Velankar, S.S, Soultanas, P, Dillingham, M.S, Subramanya, H.S, Wigley, D.B. | Deposit date: | 1999-03-12 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structures of complexes of PcrA DNA helicase with a DNA substrate indicate an inchworm mechanism Cell(Cambridge,Mass.), 97, 1999
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6ZYN
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![BU of 6zyn by Molmil](/molmil-images/mine/6zyn) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4000138 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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2VJ6
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![BU of 2vj6 by Molmil](/molmil-images/mine/2vj6) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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3OQ1
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![BU of 3oq1 by Molmil](/molmil-images/mine/3oq1) | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | Descriptor: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2010-09-02 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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6ZYW
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![BU of 6zyw by Molmil](/molmil-images/mine/6zyw) | Outer Dynein Arm-Shulin complex - overall structure (Tetrahymena thermophila) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | Authors: | Mali, G.R, Abid Ali, F, Lau, C.K, Carter, A.P. | Deposit date: | 2020-08-03 | Release date: | 2021-01-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (8.78 Å) | Cite: | Shulin packages axonemal outer dynein arms for ciliary targeting. Science, 371, 2021
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