6Q4U
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![BU of 6q4u by Molmil](/molmil-images/mine/6q4u) | KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*(DOC))-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2018-12-06 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide. Angew.Chem.Int.Ed.Engl., 58, 2019
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8RGP
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![BU of 8rgp by Molmil](/molmil-images/mine/8rgp) | Closed Complex I from murine brain | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 31, 2024
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5XW1
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![BU of 5xw1 by Molmil](/molmil-images/mine/5xw1) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-28 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases To Be Published
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7UZ2
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![BU of 7uz2 by Molmil](/molmil-images/mine/7uz2) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | Descriptor: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | Deposit date: | 2022-05-08 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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5XW8
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![BU of 5xw8 by Molmil](/molmil-images/mine/5xw8) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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8ECP
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![BU of 8ecp by Molmil](/molmil-images/mine/8ecp) | |
6EUG
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![BU of 6eug by Molmil](/molmil-images/mine/6eug) | |
8E1C
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![BU of 8e1c by Molmil](/molmil-images/mine/8e1c) | |
7Q6L
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7QC6
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![BU of 7qc6 by Molmil](/molmil-images/mine/7qc6) | HisF_C9A_L50H_I52H mutant (apo) from T. maritima | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Imidazole glycerol phosphate synthase subunit HisF | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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7QC7
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![BU of 7qc7 by Molmil](/molmil-images/mine/7qc7) | HisF-C9A-D11E-V33A_L50H_I52H mutant (apo) from T. maritima | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Imidazole glycerol phosphate synthase subunit HisF | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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7QC8
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![BU of 7qc8 by Molmil](/molmil-images/mine/7qc8) | HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Zn(II) from T. maritima | Descriptor: | Imidazole glycerol phosphate synthase subunit HisF, SULFATE ION, ZINC ION | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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7QC9
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![BU of 7qc9 by Molmil](/molmil-images/mine/7qc9) | HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Ni(II) from T. maritima | Descriptor: | 1,2-ETHANEDIOL, Imidazole glycerol phosphate synthase subunit HisF, NICKEL (II) ION, ... | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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8Q9P
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![BU of 8q9p by Molmil](/molmil-images/mine/8q9p) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | Descriptor: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8JOR
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![BU of 8jor by Molmil](/molmil-images/mine/8jor) | Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type A crystal | Descriptor: | Acyltransferase, PENTAETHYLENE GLYCOL | Authors: | Nakamichi, Y, Saika, A, Watanabe, M, Fujii, T, Morita, T. | Deposit date: | 2023-06-08 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural identification of catalytic His158 of PtMAC2p from Pseudozyma tsukubaensis , an acyltransferase involved in mannosylerythritol lipids formation. Front Bioeng Biotechnol, 11, 2023
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5T7V
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![BU of 5t7v by Molmil](/molmil-images/mine/5t7v) | Methicillin Resistant, Linezolid resistant Staphylococcus aureus 70S ribosome (delta S145 uL3) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Belousoff, M.J, Lithgow, T, Eyal, Z, Yonath, A, Radjainia, M. | Deposit date: | 2016-09-06 | Release date: | 2017-05-31 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis for Linezolid Binding Site Rearrangement in theStaphylococcus aureusRibosome. MBio, 8, 2017
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7Q54
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![BU of 7q54 by Molmil](/molmil-images/mine/7q54) | Single Particle Cryo-EM structure of photosynthetic A4B4-glyceraldehyde 3-phosphate dehydrogenase from Spinacia oleracia. | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ... | Authors: | Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A. | Deposit date: | 2021-11-02 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Unravelling the regulation pathway of photosynthetic AB-GAPDH. Acta Crystallogr D Struct Biol, 78, 2022
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6GIX
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![BU of 6gix by Molmil](/molmil-images/mine/6gix) | Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein. Nat Plants, 4, 2018
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7Q5X
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![BU of 7q5x by Molmil](/molmil-images/mine/7q5x) | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | Deposit date: | 2021-11-04 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2. Proteins, 91, 2023
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8UXU
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![BU of 8uxu by Molmil](/molmil-images/mine/8uxu) | Cryo-EM structure of a bacterial nitrilase filament with a covalent adduct derived from benzonitrile hydrolysis | Descriptor: | Nitrilase, benzaldehyde | Authors: | Aguirre-Sampieri, S, Casanal, A, Emsley, P, Garza-Ramos, G. | Deposit date: | 2023-11-10 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Cryo-EM structure of bacterial nitrilase reveals insight into oligomerization, substrate recognition, and catalysis. J.Struct.Biol., 216, 2024
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8VG8
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![BU of 8vg8 by Molmil](/molmil-images/mine/8vg8) | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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4RY9
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![BU of 4ry9 by Molmil](/molmil-images/mine/4ry9) | Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae EF01-2, TARGET EFI-511009, a complex with D-TALITOL | Descriptor: | BICARBONATE ION, D-altritol, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae To be Published
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6V4W
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![BU of 6v4w by Molmil](/molmil-images/mine/6v4w) | The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Beta-lactamase, ... | Authors: | Tan, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-02 | Release date: | 2019-12-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The crystal structure of a beta-lactamase from Chitinophaga pinensis DSM 2588 To Be Published
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8VFO
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![BU of 8vfo by Molmil](/molmil-images/mine/8vfo) | Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | Deposit date: | 2023-12-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
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