2MZ8
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![BU of 2mz8 by Molmil](/molmil-images/mine/2mz8) | Solution NMR structure of Salmonella Typhimurium transcriptional regulator protein Crl | Descriptor: | Sigma factor-binding protein Crl | Authors: | Cavaliere, P, Levi-Acobas, F, Monteil, V, Bellalou, J, Mayer, C, Norel, F, Sizun, C. | Deposit date: | 2015-02-07 | Release date: | 2015-12-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Binding interface between the Salmonella sigma (S)/RpoS subunit of RNA polymerase and Crl: hints from bacterial species lacking crl. Sci Rep, 5, 2015
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6IBE
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![BU of 6ibe by Molmil](/molmil-images/mine/6ibe) | The FERM domain of Human EPB41L3 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-11-29 | Release date: | 2018-12-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The FERM domain of Human EPB41L3 To Be Published
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5LBH
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![BU of 5lbh by Molmil](/molmil-images/mine/5lbh) | Crystal structure of Helicobacter cinaedi CAIP | Descriptor: | CAIP, FE (III) ION | Authors: | Zanotti, G, Valesse, F, Codolo, G, De Bernard, M. | Deposit date: | 2016-06-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | The Helicobacter cinaedi antigen CAIP participates in atherosclerotic inflammation by promoting the differentiation of macrophages in foam cells. Sci Rep, 7, 2017
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5LDH
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6MK0
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![BU of 6mk0 by Molmil](/molmil-images/mine/6mk0) | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | Descriptor: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic 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: | van Agthoven, J, Arnaout, M.A. | Deposit date: | 2018-09-24 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations Acs Pharmacol Transl Sci, 2, 2019
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6EVS
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![BU of 6evs by Molmil](/molmil-images/mine/6evs) | Characterization of 2-deoxyribosyltransferase from psychrotolerant bacterium Bacillus psychrosaccharolyticus: a suitable biocatalyst for the industrial synthesis of antiviral and antitumoral nucleosides | Descriptor: | N-deoxyribosyltransferase | Authors: | Fresco-Tabohada, A, Fernandez-Lucas, J, Acebal, C, Arroyo, M, Ramon, F, Mancheno, J.M, de la Mata, I. | Deposit date: | 2017-11-02 | Release date: | 2018-11-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2'-Deoxyribosyltransferase from Bacillus psychrosaccharolyticus: A Mesophilic-Like Biocatalyst for the Synthesis of Modified Nucleosides from a Psychrotolerant Bacterium Catalysts, 2019
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6MSL
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![BU of 6msl by Molmil](/molmil-images/mine/6msl) | Integrin AlphaVBeta3 ectodomain bound to EETI-II 2.5D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine Knot Protein 2.5D, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-16 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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6EZ8
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![BU of 6ez8 by Molmil](/molmil-images/mine/6ez8) | Human Huntingtin-HAP40 complex structure | Descriptor: | Factor VIII intron 22 protein, Huntingtin | Authors: | Guo, Q, Bin, H, Cheng, J, Pfeifer, G, Baumeister, W, Fernandez-Busnadiego, R, Kochanek, S. | Deposit date: | 2017-11-14 | Release date: | 2018-02-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The cryo-electron microscopy structure of huntingtin. Nature, 555, 2018
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4IIK
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![BU of 4iik by Molmil](/molmil-images/mine/4iik) | Legionella pneumophila effector | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL, ... | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | Deposit date: | 2012-12-20 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD Plos Pathog., 9, 2013
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4IIP
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![BU of 4iip by Molmil](/molmil-images/mine/4iip) | Legionella pneumophila effector | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | Deposit date: | 2012-12-20 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD Plos Pathog., 9, 2013
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7KWE
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![BU of 7kwe by Molmil](/molmil-images/mine/7kwe) | Crystal structure of the catalytic domain of human PDE3A bound to DNMDP | Descriptor: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Horner, S.W, Garvie, C. | Deposit date: | 2020-11-30 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun, 12, 2021
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7WRQ
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![BU of 7wrq by Molmil](/molmil-images/mine/7wrq) | Structure of Human IGF1/IGFBP3/ALS Ternary Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor-binding protein 3, Insulin-like growth factor-binding protein complex acid labile subunit, ... | Authors: | Kim, H, Fu, Y, Kim, H.M. | Deposit date: | 2022-01-27 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for assembly and disassembly of the IGF/IGFBP/ALS ternary complex Nat Commun, 13, 2022
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5CKR
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![BU of 5ckr by Molmil](/molmil-images/mine/5ckr) | Crystal Structure of MraY in complex with Muraymycin D2 | Descriptor: | Muraymycin D2, Phospho-N-acetylmuramoyl-pentapeptide-transferase | Authors: | Lee, S.Y, Chung, B.C, Mashalidis, E.H, Tanino, T, Kim, M, Hong, J, Ichikawa, S. | Deposit date: | 2015-07-15 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural insights into inhibition of lipid I production in bacterial cell wall synthesis. Nature, 533, 2016
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3P90
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![BU of 3p90 by Molmil](/molmil-images/mine/3p90) | Crystal Structure Analysis of H207F Mutant of Human CLIC1 | Descriptor: | Chloride intracellular channel protein 1 | Authors: | Cross, M.O, Fanucchi, S, Achilonu, I.A, Fernandes, M.A, Dirr, H.W. | Deposit date: | 2010-10-15 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of individual histidines in the pH-dependent global stability of human chloride intracellular channel 1. Biochemistry, 51, 2012
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5FBE
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![BU of 5fbe by Molmil](/molmil-images/mine/5fbe) | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | Descriptor: | Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate | Authors: | Ostermann, N, Zink, F. | Deposit date: | 2015-12-14 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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6MSU
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![BU of 6msu by Molmil](/molmil-images/mine/6msu) | Integrin alphaVBeta3 in complex with EETI-II 2.5F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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2K06
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6HMH
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![BU of 6hmh by Molmil](/molmil-images/mine/6hmh) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
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7JMQ
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![BU of 7jmq by Molmil](/molmil-images/mine/7jmq) | The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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7QUO
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![BU of 7quo by Molmil](/molmil-images/mine/7quo) | FimH lectin domain in complex with oligomannose-6 | Descriptor: | FimH, NICKEL (II) ION, SULFATE ION, ... | Authors: | Bouckaert, J, Bourenkov, G.P. | Deposit date: | 2022-01-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors J.Biol.Chem., 299, 2023
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5FBI
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![BU of 5fbi by Molmil](/molmil-images/mine/5fbi) | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b | Descriptor: | 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL | Authors: | Ostermann, N, Zink, F. | Deposit date: | 2015-12-14 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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7V0V
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![BU of 7v0v by Molmil](/molmil-images/mine/7v0v) | GFP Nanobody NMR Structure | Descriptor: | Anti-GFP Nanobody | Authors: | Mueller, G.A. | Deposit date: | 2022-05-11 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Nanobody Paratope Ensembles in Solution Characterized by MD Simulations and NMR. Int J Mol Sci, 23, 2022
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5FCK
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![BU of 5fck by Molmil](/molmil-images/mine/5fck) | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 | Descriptor: | 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION | Authors: | Mac Sweeney, A. | Deposit date: | 2015-12-15 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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5FOE
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![BU of 5foe by Molmil](/molmil-images/mine/5foe) | Crystal structure of the C. elegans Protein O-fucosyltransferase 2 (CePOFUT2) double mutant (R298K-R299K) in complex with GDP and the human TSR1 from thrombospondin 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Thrombospondin-1, ... | Authors: | Valero-Gonzalez, J, Leonhard-Melief, C, Lira-Navarrete, E, Jimenez-Oses, G, Hernandez-Ruiz, C, Pallares, M.C, Yruela, I, Vasudevan, D, Lostao, A, Corzana, F, Takeuchi, H, Haltiwanger, R.S, Hurtado-Guerrero, R. | Deposit date: | 2015-11-19 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Proactive Role of Water Molecules in Acceptor Recognition of Thrombospondin Type 1 Repeats by Protein-O-Fucosyltransferase 2 Nat.Chem.Biol., 12, 2016
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6TUR
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![BU of 6tur by Molmil](/molmil-images/mine/6tur) | human XPG, Apo1 form | Descriptor: | DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | Deposit date: | 2020-01-08 | Release date: | 2020-09-16 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair. Nucleic Acids Res., 48, 2020
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