8OQC
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![BU of 8oqc by Molmil](/molmil-images/mine/8oqc) | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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5ZUO
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![BU of 5zuo by Molmil](/molmil-images/mine/5zuo) | Crystal Structure of BZ junction in diverse sequence | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Kim, K.K, Kim, D. | Deposit date: | 2018-05-08 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Sequence preference and structural heterogeneity of BZ junctions. Nucleic Acids Res., 46, 2018
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5L70
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![BU of 5l70 by Molmil](/molmil-images/mine/5l70) | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | Deposit date: | 2016-06-01 | Release date: | 2017-06-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published
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7VJM
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![BU of 7vjm by Molmil](/molmil-images/mine/7vjm) | Aca1 in complex with 19bp palindromic DNA substrate | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3'), anti-CRISPR-associated protein Aca1 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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8HQP
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![BU of 8hqp by Molmil](/molmil-images/mine/8hqp) | Crystal structure of AbHheG mutant from Acidimicrobiia bacterium | Descriptor: | AbHheG_m | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | Deposit date: | 2022-12-13 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides Acs Catalysis, 13, 2023
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8EQ0
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![BU of 8eq0 by Molmil](/molmil-images/mine/8eq0) | |
8EQ3
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![BU of 8eq3 by Molmil](/molmil-images/mine/8eq3) | Escherichia coli pyruvate kinase A301T | Descriptor: | IMIDAZOLE, MALONATE ION, Pyruvate kinase, ... | Authors: | Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F. | Deposit date: | 2022-10-07 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth To Be Published
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5HFK
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![BU of 5hfk by Molmil](/molmil-images/mine/5hfk) | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE | Descriptor: | Disulfide-bond oxidoreductase YfcG, GLUTATHIONE | Authors: | Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2016-01-07 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE TO BE PUBLISHED
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8OQG
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![BU of 8oqg by Molmil](/molmil-images/mine/8oqg) | Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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8SK1
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![BU of 8sk1 by Molmil](/molmil-images/mine/8sk1) | Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-18 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 To be published
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5HIE
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![BU of 5hie by Molmil](/molmil-images/mine/5hie) | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5LIE
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![BU of 5lie by Molmil](/molmil-images/mine/5lie) | |
8P4Z
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![BU of 8p4z by Molmil](/molmil-images/mine/8p4z) | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | Descriptor: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | Authors: | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | Deposit date: | 2023-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 To Be Published
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7VFL
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![BU of 7vfl by Molmil](/molmil-images/mine/7vfl) | Crystal structure of SdgB (UDP, NAG, and O-glycosylated SD peptide-binding form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, group 1 family protein, ... | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | Deposit date: | 2021-09-13 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins. Acta Crystallogr D Struct Biol, 77, 2021
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8EK6
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![BU of 8ek6 by Molmil](/molmil-images/mine/8ek6) | UCA Y35N (unbound) Fab from CH65-CH67 lineage | Descriptor: | UCA Fab heavy chain, UCA Fab light chain | Authors: | Maurer, D.P, Schmidt, A.G. | Deposit date: | 2022-09-20 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Hierarchical sequence-affinity landscapes shape the evolution of breadth in an anti-influenza receptor binding site antibody. Elife, 12, 2023
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6LS4
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![BU of 6ls4 by Molmil](/molmil-images/mine/6ls4) | A novel anti-tumor agent S-40 in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity. Cancer Lett., 495, 2020
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6OBY
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![BU of 6oby by Molmil](/molmil-images/mine/6oby) | |
6LT6
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![BU of 6lt6 by Molmil](/molmil-images/mine/6lt6) | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shima, Y, Morita, D. | Deposit date: | 2020-01-21 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules. J.Biol.Chem., 295, 2020
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8OQD
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![BU of 8oqd by Molmil](/molmil-images/mine/8oqd) | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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8OQE
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![BU of 8oqe by Molmil](/molmil-images/mine/8oqe) | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking) | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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8OQF
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![BU of 8oqf by Molmil](/molmil-images/mine/8oqf) | Cross-linked crystal of Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (low temperature data collection) | Descriptor: | (mi2-acetato-O, O')-hexaaquo-dirhodium (II), CHLORIDE ION, ... | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | Deposit date: | 2023-04-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts. Inorg.Chem., 62, 2023
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6U2X
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![BU of 6u2x by Molmil](/molmil-images/mine/6u2x) | Structure of ALDH7A1 mutant E399G complexed with NAD | Descriptor: | Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-08-20 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy. J. Inherit. Metab. Dis., 43, 2020
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3V7E
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![BU of 3v7e by Molmil](/molmil-images/mine/3v7e) | Crystal structure of YbxF bound to the SAM-I riboswitch aptamer | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, Ribosome-associated protein L7Ae-like, ... | Authors: | Baird, N.J, Zhang, J, Hamma, T, Ferre-D'Amare, A.R. | Deposit date: | 2011-12-21 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops. Rna, 18, 2012
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5HS0
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![BU of 5hs0 by Molmil](/molmil-images/mine/5hs0) | Computationally Designed Cyclic Tetramer ank1C4_7 | Descriptor: | Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION | Authors: | McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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6UIM
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![BU of 6uim by Molmil](/molmil-images/mine/6uim) | |