7AQH
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![BU of 7aqh by Molmil](/molmil-images/mine/7aqh) | Cell wall binding domain of the Staphylococcal phage 2638A endolysin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ORF007 | Authors: | Dunne, M, Sobieraj, A, Ernst, P, Mittl, P.R.E, Pluckthun, A, Loessner, M.J. | Deposit date: | 2020-10-21 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Cell wall binding domain of the Staphylococcal phage 2638A endolysin To Be Published
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5JMC
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![BU of 5jmc by Molmil](/molmil-images/mine/5jmc) | Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C | Descriptor: | Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C | Authors: | Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R. | Deposit date: | 2016-04-28 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A. Nat.Struct.Mol.Biol., 23, 2016
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3KIN
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![BU of 3kin by Molmil](/molmil-images/mine/3kin) | KINESIN (DIMERIC) FROM RATTUS NORVEGICUS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN | Authors: | Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E. | Deposit date: | 1997-08-25 | Release date: | 1998-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The crystal structure of dimeric kinesin and implications for microtubule-dependent motility. Cell(Cambridge,Mass.), 91, 1997
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8C63
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![BU of 8c63 by Molmil](/molmil-images/mine/8c63) | Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 4 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, PLATINUM (II) ION, ... | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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5MEO
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![BU of 5meo by Molmil](/molmil-images/mine/5meo) | Human Leukocyte Antigen presenting ILGKFLHRL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.772 Å) | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase. J. Biol. Chem., 292, 2017
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3O1B
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![BU of 3o1b by Molmil](/molmil-images/mine/3o1b) | CRYSTAL STRUCTURE OF DIMERIC KLHXK1 IN CRYSTAL FORM II | Descriptor: | Hexokinase | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-21 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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5C1Z
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![BU of 5c1z by Molmil](/molmil-images/mine/5c1z) | Parkin (UblR0RBR) | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | Deposit date: | 2015-06-15 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis. Embo J., 34, 2015
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7N2W
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![BU of 7n2w by Molmil](/molmil-images/mine/7n2w) | The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 | Descriptor: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN dependent NADH:quinone oxidoreductase | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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3O20
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![BU of 3o20 by Molmil](/molmil-images/mine/3o20) | Electron transfer complexes:experimental mapping of the Redox-dependent Cytochrome C electrostatic surface | Descriptor: | Cytochrome c, HEME C, NITRATE ION | Authors: | De March, M, De Zorzi, R, Casini, A, Messori, L, Geremia, S, Demitri, N, Gabbiani, C, Guerri, A. | Deposit date: | 2010-07-22 | Release date: | 2012-01-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition. J. Inorg. Biochem., 135, 2014
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5JD9
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![BU of 5jd9 by Molmil](/molmil-images/mine/5jd9) | Bacillus cereus CotH kinase | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Spore coat protein H | Authors: | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Phosphorylation of spore coat proteins by a family of atypical protein kinases. Proc.Natl.Acad.Sci.USA, 113, 2016
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5CN7
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![BU of 5cn7 by Molmil](/molmil-images/mine/5cn7) | Ultrafast dynamics in myoglobin: 0.2 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CNE
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![BU of 5cne by Molmil](/molmil-images/mine/5cne) | Ultrafast dynamics in myoglobin: 10 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4XUB
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![BU of 4xub by Molmil](/molmil-images/mine/4xub) | Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe | Descriptor: | 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-01-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B. J.Med.Chem., 58, 2015
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5BVW
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![BU of 5bvw by Molmil](/molmil-images/mine/5bvw) | Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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8UJW
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![BU of 8ujw by Molmil](/molmil-images/mine/8ujw) | |
8UBH
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8C64
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![BU of 8c64 by Molmil](/molmil-images/mine/8c64) | Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM (II) ION, arsenoplatin-1 | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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7E0A
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![BU of 7e0a by Molmil](/molmil-images/mine/7e0a) | X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma | Authors: | Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I. | Deposit date: | 2021-01-27 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.771 Å) | Cite: | Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist. Biol.Pharm.Bull., 44, 2021
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7ALM
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![BU of 7alm by Molmil](/molmil-images/mine/7alm) | |
1JMP
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![BU of 1jmp by Molmil](/molmil-images/mine/1jmp) | Solution Structure of the Viscotoxin B | Descriptor: | viscotoxin B | Authors: | Coulon, A, Mosbah, A, Bernard, C, Rouge, P, Urech, K, Darbon, H. | Deposit date: | 2001-07-19 | Release date: | 2003-11-11 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Comparative membrane interaction study of viscotoxins A3, A2 and B from mistletoe (Viscum album) and connections with their structures Biochem.J., 374, 2003
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5MNF
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![BU of 5mnf by Molmil](/molmil-images/mine/5mnf) | |
4XYD
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![BU of 4xyd by Molmil](/molmil-images/mine/4xyd) | Nitric oxide reductase from Roseobacter denitrificans (RdNOR) | Descriptor: | CALCIUM ION, COPPER (II) ION, FE (III) ION, ... | Authors: | Crow, A. | Deposit date: | 2015-02-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of the Membrane-intrinsic Nitric Oxide Reductase from Roseobacter denitrificans. Biochemistry, 55, 2016
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5CAD
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![BU of 5cad by Molmil](/molmil-images/mine/5cad) | Crystal structure of the vicilin from Solanum melongena revealed existence of different anionic ligands in structurally similar pockets | Descriptor: | ACETATE ION, MAGNESIUM ION, PYROGLUTAMIC ACID, ... | Authors: | Jain, A, Kumar, A, Salunke, D.M. | Deposit date: | 2015-06-29 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of the vicilin from Solanum melongena reveals existence of different anionic ligands in structurally similar pockets Sci Rep, 6, 2016
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2JOQ
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![BU of 2joq by Molmil](/molmil-images/mine/2joq) | Solution Structure of Protein HP0495 from H. pylori; Northeast structural genomics consortium target PT2; Ontario Centre for Structural Proteomics target HP0488 | Descriptor: | Hypothetical protein HP_0495 | Authors: | Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2007-03-19 | Release date: | 2007-04-03 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure of Protein HP0495 from H. pylori To be Published
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4Y6U
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![BU of 4y6u by Molmil](/molmil-images/mine/4y6u) | Mycobacterial protein | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-13 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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