4AK5
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![BU of 4ak5 by Molmil](/molmil-images/mine/4ak5) | Native crystal structure of BpGH117 | Descriptor: | 1,2-ETHANEDIOL, ANHYDRO-ALPHA-L-GALACTOSIDASE, CHLORIDE ION, ... | Authors: | Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-02-21 | Release date: | 2012-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds. J.Biol.Chem., 287, 2012
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5TMZ
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![BU of 5tmz by Molmil](/molmil-images/mine/5tmz) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | Descriptor: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TN7
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![BU of 5tn7 by Molmil](/molmil-images/mine/5tn7) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | Descriptor: | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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6R8H
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![BU of 6r8h by Molmil](/molmil-images/mine/6r8h) | Triosephosphate isomerase from liver fluke (Fasciola hepatica). | Descriptor: | SULFATE ION, Triosephosphate isomerase | Authors: | Ferraro, F, Corvo, I, Bergalli, L, Ilarraz, A, Cabrera, M, Gil, J, Susuki, B, Caffrey, C, Timson, D.J, Robert, X, Guillon, C, Alvarez, G. | Deposit date: | 2019-04-01 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity. Sci Rep, 10, 2020
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6CKS
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![BU of 6cks by Molmil](/molmil-images/mine/6cks) | Crystal Structure of BRD4 with QC4956 | Descriptor: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | Authors: | Hosfield, D.J. | Deposit date: | 2018-02-28 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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2JZ4
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![BU of 2jz4 by Molmil](/molmil-images/mine/2jz4) | Putative 32 kDa myrosinase binding protein At3g16450.1 from Arabidopsis thaliana | Descriptor: | Jasmonate inducible protein isolog | Authors: | Takeda, N, Sugimori, N, Torizawa, T, Terauchi, T, Ono, A.M, Yagi, H, Yamaguchi, Y, Kato, K, Ikeya, T, Guntert, P, Aceti, D.J, Markley, J.L, Kainosho, M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-12-28 | Release date: | 2008-02-19 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR. Febs J., 275, 2008
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5UDH
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![BU of 5udh by Molmil](/molmil-images/mine/5udh) | HHARI/ARIH1-UBCH7~Ubiquitin | Descriptor: | E3 ubiquitin-protein ligase ARIH1, Ubiquitin C variant, Ubiquitin-conjugating enzyme E2 L3, ... | Authors: | Miller, D.J, Schulman, B.A. | Deposit date: | 2016-12-27 | Release date: | 2017-06-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structural Studies of HHARI/UbcH7Ub Reveal Unique E2Ub Conformational Restriction by RBR RING1. Structure, 25, 2017
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5UHK
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![BU of 5uhk by Molmil](/molmil-images/mine/5uhk) | |
5UHP
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4CYM
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![BU of 4cym by Molmil](/molmil-images/mine/4cym) | Complex of human VARP-ANKRD1 with Rab32-GppCp | Descriptor: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R. | Deposit date: | 2014-04-13 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface. Dev.Cell, 29, 2014
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6C1I
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![BU of 6c1i by Molmil](/molmil-images/mine/6c1i) | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid | Authors: | Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. | Deposit date: | 2018-01-04 | Release date: | 2018-12-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma. Nat Commun, 9, 2018
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6R7R
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![BU of 6r7r by Molmil](/molmil-images/mine/6r7r) | Crystal structure of the glutamate transporter homologue GltTk in complex with D-aspartate | Descriptor: | D-ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arkhipova, V, Guskov, A, Slotboom, D.J. | Deposit date: | 2019-03-29 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding and transport of D-aspartate by the glutamate transporter homolog Glt Tk . Elife, 8, 2019
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6RA0
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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6CMJ
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![BU of 6cmj by Molmil](/molmil-images/mine/6cmj) | Human CAMKK2 with GSK650393 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H. | Deposit date: | 2018-03-05 | Release date: | 2018-04-04 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model. Bioorg. Med. Chem. Lett., 28, 2018
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6CP0
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![BU of 6cp0 by Molmil](/molmil-images/mine/6cp0) | SdcA in complex with the E2, UbcH5C | Descriptor: | SdcA, Ubiquitin-conjugating enzyme E2 D3 | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | Deposit date: | 2018-03-13 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC. Elife, 7, 2018
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4AZI
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![BU of 4azi by Molmil](/molmil-images/mine/4azi) | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, BICINE, ... | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-06-26 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh. Org.Biomol.Chem., 11, 2013
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6CP2
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![BU of 6cp2 by Molmil](/molmil-images/mine/6cp2) | SidC in complex with UbcH7~Ub | Descriptor: | Polyubiquitin-B, SidC, Ubiquitin-conjugating enzyme E2 L3 | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | Deposit date: | 2018-03-13 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC. Elife, 7, 2018
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6SLZ
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![BU of 6slz by Molmil](/molmil-images/mine/6slz) | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2019-08-21 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist To Be Published
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5U31
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![BU of 5u31 by Molmil](/molmil-images/mine/5u31) | Crystal structure of AacC2c1-sgRNA-8mer substrate DNA ternary complex | Descriptor: | CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ... | Authors: | Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J. | Deposit date: | 2016-12-01 | Release date: | 2017-01-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease. Cell, 167, 2016
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4AZB
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![BU of 4azb by Molmil](/molmil-images/mine/4azb) | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-06-25 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh. Org.Biomol.Chem., 11, 2013
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4B7I
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![BU of 4b7i by Molmil](/molmil-images/mine/4b7i) | Crystal Structure of Human IgG Fc Bearing Hybrid-type Glycans | Descriptor: | CHLORIDE ION, IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bowden, T.A, Baruah, K, Coles, C.H, Harvey, D.J, Song, B.D, Stuart, D.I, Aricescu, A.R, Scanlan, C.N, Jones, E.Y, Crispin, M. | Deposit date: | 2012-08-20 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Chemical and Structural Analysis of an Antibody Folding Intermediate Trapped During Glycan Biosynthesis. J.Am.Chem.Soc., 134, 2012
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5V8D
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![BU of 5v8d by Molmil](/molmil-images/mine/5v8d) | Structure of Bacillus cereus PatB1 with sulfonyl adduct | Descriptor: | Bacillus cereus PatB1, SULFATE ION | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
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4CZD
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![BU of 4czd by Molmil](/molmil-images/mine/4czd) | |
6CT1
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![BU of 6ct1 by Molmil](/molmil-images/mine/6ct1) | TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R7) derived from a Pyrobaculum aerophilum ribosomal protein (L39e) | Descriptor: | PaDBS1R7 | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L. | Deposit date: | 2018-03-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold Chem Sci, 13, 2022
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