6HN2
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![BU of 6hn2 by Molmil](/molmil-images/mine/6hn2) | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 | Descriptor: | 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ... | Authors: | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | Deposit date: | 2018-09-13 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
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6HRW
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![BU of 6hrw by Molmil](/molmil-images/mine/6hrw) | EthR2 in complex with compound 1 (BDM14272) | Descriptor: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | Deposit date: | 2018-09-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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1KGX
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![BU of 1kgx by Molmil](/molmil-images/mine/1kgx) | Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-28 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
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8DL9
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![BU of 8dl9 by Molmil](/molmil-images/mine/8dl9) | |
1NKH
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![BU of 1nkh by Molmil](/molmil-images/mine/1nkh) | Crystal structure of Lactose synthase complex with UDP and Manganese | Descriptor: | ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, CALCIUM ION, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2003-01-03 | Release date: | 2003-01-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of lactose synthase reveals a large conformational
change in its catalytic component, the beta-1,4-galactosyltransferase J.Mol.Biol., 310, 2001
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8DLB
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![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | Deposit date: | 2022-07-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
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8DMD
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1KGU
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![BU of 1kgu by Molmil](/molmil-images/mine/1kgu) | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337A VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-28 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
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6I10
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![BU of 6i10 by Molmil](/molmil-images/mine/6i10) | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2018-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg.Med.Chem.Lett., 29, 2019
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4HAG
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![BU of 4hag by Molmil](/molmil-images/mine/4hag) | Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | Deposit date: | 2012-09-26 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface. Mol.Immunol., 56, 2013
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5LIX
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![BU of 5lix by Molmil](/molmil-images/mine/5lix) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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6JSG
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![BU of 6jsg by Molmil](/molmil-images/mine/6jsg) | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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3HW8
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![BU of 3hw8 by Molmil](/molmil-images/mine/3hw8) | ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A. | Deposit date: | 2009-06-17 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scrunching Durning DNA Repair Synthesis To be Published
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5LFG
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![BU of 5lfg by Molmil](/molmil-images/mine/5lfg) | X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | Authors: | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | Deposit date: | 2016-07-01 | Release date: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin. Chemistry, 23, 2017
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8EC9
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6JZE
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![BU of 6jze by Molmil](/molmil-images/mine/6jze) | Crystal structure of VASH2-SVBP complex with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 2 | Authors: | Chen, Z, Ling, Y, Zeyuan, G, Zhu, L. | Deposit date: | 2019-05-01 | Release date: | 2019-08-07 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis of tubulin detyrosination by VASH2/SVBP heterodimer. Nat Commun, 10, 2019
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8ECA
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![BU of 8eca by Molmil](/molmil-images/mine/8eca) | Covalently stabilized triangular trimer derived from Abeta16-36 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ORN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET | Authors: | Kreutzer, A.G, Yoo, S, Nowick, J.S. | Deposit date: | 2022-09-01 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Probing differences among A beta oligomers with two triangular trimers derived from A beta. Proc.Natl.Acad.Sci.USA, 120, 2023
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6IJL
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5L4R
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![BU of 5l4r by Molmil](/molmil-images/mine/5l4r) | X-ray structure of the adduct between thaumatin and cisplatin | Descriptor: | Cisplatin, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Russo Krauss, I, Ferraro, G, Merlino, A. | Deposit date: | 2016-05-26 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Cisplatin-Protein Interactions: Unexpected Drug Binding to N-Terminal Amine and Lysine Side Chains. Inorg.Chem., 55, 2016
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6ILG
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5KIO
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![BU of 5kio by Molmil](/molmil-images/mine/5kio) | PSEUDO T4 LYSOZYME MUTANT - Y18PHE-I | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Endolysin | Authors: | Scholfield, M.R. | Deposit date: | 2016-06-16 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry, 56, 2017
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5KVK
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![BU of 5kvk by Molmil](/molmil-images/mine/5kvk) | Crystal structure of the Competence-Damaged Protein (CinA) Superfamily Protein KP700603 from Klebsiella pneumoniae 700603 | Descriptor: | Protein KP700603 | Authors: | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Di Leo, R, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-07-14 | Release date: | 2016-08-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | To be published To Be Published
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8E66
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![BU of 8e66 by Molmil](/molmil-images/mine/8e66) | ETV6 H396Y variant bound to DNA containing the sequence GGAA | Descriptor: | CACODYLATE ION, Complementary 15 bp strand, GGAA-containing 15 bp DNA, ... | Authors: | Scheu, K, Chan, A.C, Murphy, M.E, McIntosh, L.P. | Deposit date: | 2022-08-22 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The functional role of histidine within the ETV6 ETS domain to be published
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6I63
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![BU of 6i63 by Molmil](/molmil-images/mine/6i63) | Crystal structure of human ERRg LBD in complex with bisphenol-A | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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8E7T
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![BU of 8e7t by Molmil](/molmil-images/mine/8e7t) | |