7ODG
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4RKF
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![BU of 4rkf by Molmil](/molmil-images/mine/4rkf) | Drosophila melanogaster Rab3 bound to GMPPNP | Descriptor: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B. | Deposit date: | 2014-10-13 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP. Acta Crystallogr F Struct Biol Commun, 71, 2015
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3QTR
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![BU of 3qtr by Molmil](/molmil-images/mine/3qtr) | CDK2 in complex with inhibitor RC-1-148 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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7O9J
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![BU of 7o9j by Molmil](/molmil-images/mine/7o9j) | Crystal structure of DyP-type peroxidase from Dictyostelium discoideum in complex with an activated form of oxygen | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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7O9L
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![BU of 7o9l by Molmil](/molmil-images/mine/7o9l) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide. | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, DyPA, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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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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4RM7
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4RMG
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![BU of 4rmg by Molmil](/molmil-images/mine/4rmg) | Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4DFU
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![BU of 4dfu by Molmil](/molmil-images/mine/4dfu) | Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, APH(2")-Id, CHLORIDE ION, ... | Authors: | Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-01-24 | Release date: | 2012-02-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A small molecule discrimination map of the antibiotic resistance kinome. Chem.Biol., 18, 2011
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5JLG
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![BU of 5jlg by Molmil](/molmil-images/mine/5jlg) | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand | Descriptor: | DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ... | Authors: | Ferraro, G, Merlino, A. | Deposit date: | 2016-04-27 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand. Dalton Trans, 45, 2016
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7ODZ
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![BU of 7odz by Molmil](/molmil-images/mine/7odz) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with an activated form of oxygen and veratryl alcohol | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-30 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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4RUA
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![BU of 4rua by Molmil](/molmil-images/mine/4rua) | Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ... | Authors: | Patra, A, Banerjee, S, Stone, M.P, Egli, M. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV. J.Am.Chem.Soc., 137, 2015
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2IUO
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![BU of 2iuo by Molmil](/molmil-images/mine/2iuo) | Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase | Descriptor: | AZIDE ION, BROMIDE ION, CHLORIDE ION, ... | Authors: | Guilloton, M, Walsh, M.A, Joachimiak, A, Anderson, M.P. | Deposit date: | 2006-06-06 | Release date: | 2006-06-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Twin Set of Low Pka Arginines Ensures the Concerted Acid Base Catalytic Mechanism of Cyanase To be Published
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4RUT
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![BU of 4rut by Molmil](/molmil-images/mine/4rut) | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | Deposit date: | 2014-11-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
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7O2W
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![BU of 7o2w by Molmil](/molmil-images/mine/7o2w) | Structure of the C9orf72-SMCR8 complex | Descriptor: | Guanine nucleotide exchange protein SMCR8,Guanine nucleotide exchange protein SMCR8,Maltose/maltodextrin-binding periplasmic protein, Ubiquitin-like protein SMT3,Guanine nucleotide exchange C9orf72 | Authors: | Noerpel, J, Cavadini, S, Schenk, A.D, Graff-Meyer, A, Chao, J, Bhaskar, V. | Deposit date: | 2021-03-31 | Release date: | 2021-07-21 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY | Cite: | Structure of the human C9orf72-SMCR8 complex reveals a multivalent protein interaction architecture. Plos Biol., 19, 2021
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2IU5
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![BU of 2iu5 by Molmil](/molmil-images/mine/2iu5) | Dihydroxyacetone kinase operon activator DhaS | Descriptor: | HTH-TYPE DHAKLM OPERON TRANSCRIPTIONAL ACTIVATOR DHAS | Authors: | Srinivas, A, Christen, S, Baumann, U, Erni, B. | Deposit date: | 2006-05-27 | Release date: | 2006-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Regulation of the Dha Operon of Lactococcus Lactis: A Deviation from the Rule Followed by the Tetr Family of Transcription Regulators J.Biol.Chem., 281, 2006
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1D88
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3RKB
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![BU of 3rkb by Molmil](/molmil-images/mine/3rkb) | CDK2 in complex with inhibitor RC-2-73 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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7PZE
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![BU of 7pze by Molmil](/molmil-images/mine/7pze) | MademoiseLLE domain 2 of Rrm4 from Ustilago maydis | Descriptor: | Chromosome 8, whole genome shotgun sequence | Authors: | Devans, S, Schott-Verdugo, s, Muentjes, K, Olgeiser, L, Reiners, J, Schmitt, L, Hoeppner, A, Smits, S.H, Gohlke, H, Feldbruegge, M. | Deposit date: | 2021-10-12 | Release date: | 2022-06-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A MademoiseLLE domain binding platform links the key RNA transporter to endosomes. Plos Genet., 18, 2022
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3KW8
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![BU of 3kw8 by Molmil](/molmil-images/mine/3kw8) | Two-domain laccase from Streptomyces coelicolor at 2.3 A resolution | Descriptor: | COPPER (II) ION, FE (III) ION, Putative copper oxidase, ... | Authors: | Skalova, T, Dohnalek, J, Kolenko, P, Duskova, J, Stepankova, A, Hasek, J, Ostergaard, L.H, Ostergaard, P.R. | Deposit date: | 2009-12-01 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 A Acta Crystallogr.,Sect.F, 67, 2011
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4RXU
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![BU of 4rxu by Molmil](/molmil-images/mine/4rxu) | Crystal structure of carbohydrate transporter solute binding protein CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158, in complex with D-glucose | Descriptor: | CITRIC ACID, Periplasmic sugar-binding protein, beta-D-glucopyranose | 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: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of sugar transporter CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158 To be Published
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5JAE
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![BU of 5jae by Molmil](/molmil-images/mine/5jae) | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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4RY1
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![BU of 4ry1 by Molmil](/molmil-images/mine/4ry1) | Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum SCRI1043, Target EFI-510858 | Descriptor: | ACETATE ION, GLYCEROL, Periplasmic solute binding protein | 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: | 2014-12-12 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum, Target EFI-510858 To be Published
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5IUM
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![BU of 5ium by Molmil](/molmil-images/mine/5ium) | Crystal structure of phosphorylated DesKC | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Trajtenberg, F, Buschiazzo, A. | Deposit date: | 2016-03-18 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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2ID5
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![BU of 2id5 by Molmil](/molmil-images/mine/2id5) | Crystal Structure of the Lingo-1 Ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ... | Authors: | Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S. | Deposit date: | 2006-09-14 | Release date: | 2006-09-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition. J.Biol.Chem., 281, 2006
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