2PQW
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![BU of 2pqw by Molmil](/molmil-images/mine/2pqw) | Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), trigonal form | Descriptor: | ACETATE ION, Histone H4, Lethal(3)malignant brain tumor-like protein | Authors: | Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-02 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | L3MBTL1 recognition of mono- and dimethylated histones. Nat.Struct.Mol.Biol., 14, 2007
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5FKX
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![BU of 5fkx by Molmil](/molmil-images/mine/5fkx) | Structure of E.coli inducible lysine decarboxylase at active pH | Descriptor: | LYSINE DECARBOXYLASE, INDUCIBLE | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | Deposit date: | 2015-10-20 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava. Sci.Rep., 6, 2016
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5FKR
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![BU of 5fkr by Molmil](/molmil-images/mine/5fkr) | Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ... | Authors: | Attia, M, Stepper, J, Davies, G.J, Brumer, H. | Deposit date: | 2015-10-19 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation. FEBS J., 283, 2016
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5V5V
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![BU of 5v5v by Molmil](/molmil-images/mine/5v5v) | Complex of NLGN2 with MDGA1 Ig1-Ig2 | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | Deposit date: | 2017-03-15 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.11 Å) | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges. Neuron, 94, 2017
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5JG5
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![BU of 5jg5 by Molmil](/molmil-images/mine/5jg5) | Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5V8A
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![BU of 5v8a by Molmil](/molmil-images/mine/5v8a) | Crystal structure of Influenza A virus matrix protein M1 (NLS-88R, pH 7.3) | Descriptor: | Matrix protein 1 | Authors: | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Zhou, Q, Chiang, M.-J, Kosikova, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication. Emerg Microbes Infect, 6, 2017
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5JGT
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![BU of 5jgt by Molmil](/molmil-images/mine/5jgt) | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JH7
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![BU of 5jh7 by Molmil](/molmil-images/mine/5jh7) | Tubulin-Eribulin complex | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | Deposit date: | 2016-04-20 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes. Curr.Biol., 26, 2016
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5AES
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![BU of 5aes by Molmil](/molmil-images/mine/5aes) | Crystal Structure of murine Chronophin (Pyridoxal Phosphate Phosphatase) in Complex with a PNP-derived Inhibitor | Descriptor: | GLYCEROL, MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE, ... | Authors: | Knobloch, G, Jabari, N, Koehn, M, Gohla, A, Schindelin, H. | Deposit date: | 2015-01-09 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Synthesis of Hydrolysis-Resistant Pyridoxal 5'-Phosphate Analogs and Their Biochemical and X-Ray Crystallographic Characterization with the Pyridoxal Phosphatase Chronophin. Bioorg.Med.Chem., 23, 2015
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5UXY
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![BU of 5uxy by Molmil](/molmil-images/mine/5uxy) | The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid) | Descriptor: | ACETIC ACID, DegV family protein, SODIUM ION, ... | Authors: | Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-02-23 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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5JJE
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![BU of 5jje by Molmil](/molmil-images/mine/5jje) | Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) | Descriptor: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | Authors: | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | Deposit date: | 2016-04-23 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
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5JLU
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1BQC
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![BU of 1bqc by Molmil](/molmil-images/mine/1bqc) | BETA-MANNANASE FROM THERMOMONOSPORA FUSCA | Descriptor: | PROTEIN (BETA-MANNANASE) | Authors: | Hilge, M, Gloor, S.M, Piontek, K. | Deposit date: | 1998-08-12 | Release date: | 1999-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution native and complex structures of thermostable beta-mannanase from Thermomonospora fusca - substrate specificity in glycosyl hydrolase family 5. Structure, 6, 1998
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5TNO
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![BU of 5tno by Molmil](/molmil-images/mine/5tno) | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, SODIUM ION, ... | Authors: | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, H, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | Deposit date: | 2016-10-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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1BPV
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5JJN
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![BU of 5jjn by Molmil](/molmil-images/mine/5jjn) | Structure of the SRII/HtrII(G83F) Complex in P212121 space group ("V" shape) | Descriptor: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | Authors: | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | Deposit date: | 2016-04-24 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
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1JDK
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![BU of 1jdk by Molmil](/molmil-images/mine/1jdk) | solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop. | Descriptor: | ACETYL GROUP | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-14 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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5JFN
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![BU of 5jfn by Molmil](/molmil-images/mine/5jfn) | Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound CoA and acylated Cys330 | Descriptor: | Aldehyde dehydrogenase, COENZYME A, PENTAETHYLENE GLYCOL, ... | Authors: | Zarzycki, J, Sutter, M, Kerfeld, C.A. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment. Sci Rep, 7, 2017
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5TMD
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![BU of 5tmd by Molmil](/molmil-images/mine/5tmd) | Crystal structure of Os79 from O. sativa in complex with U2F and trichothecene. | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE, ... | Authors: | Wetterhorn, K, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | Deposit date: | 2016-10-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol. Biochemistry, 55, 2016
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8DVV
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![BU of 8dvv by Molmil](/molmil-images/mine/8dvv) | Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under open-state conditions | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Iyer, K.A, Hu, Y, Murayama, T, Samso, M. | Deposit date: | 2022-07-29 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under open-state conditions To Be Published
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3C3I
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![BU of 3c3i by Molmil](/molmil-images/mine/3c3i) | Evolution of chlorella virus dUTPase | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION | Authors: | Yamanishi, M, Homma, K, Zhang, Y, Etten, L.V.J, Moriyama, H. | Deposit date: | 2008-01-28 | Release date: | 2009-02-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallization and crystal-packing studies of Chlorella virus deoxyuridine triphosphatase. Acta Crystallogr.,Sect.F, 65, 2009
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5TJD
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![BU of 5tjd by Molmil](/molmil-images/mine/5tjd) | Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds | Descriptor: | FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2016-10-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 2020
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1BN9
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![BU of 1bn9 by Molmil](/molmil-images/mine/1bn9) | RESPONSE ELEMENT OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB BETA | Descriptor: | DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*CP*AP*TP*TP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*TP*GP*TP*AP*GP*GP*TP*CP*AP*G)-3') | Authors: | Castagne, C, Terenzi, H, Zakin, M.M, Delepierre, M. | Deposit date: | 1998-07-31 | Release date: | 1998-08-05 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the orphan nuclear receptor rev-erb beta response element by 1H, 31P NMR and molecular simulation Biochimie, 82, 2000
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8DTY
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8DTZ
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![BU of 8dtz by Molmil](/molmil-images/mine/8dtz) | |