3LGS
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1G8Z
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![BU of 1g8z by Molmil](/molmil-images/mine/1g8z) | HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER | Descriptor: | CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose | Authors: | Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M. | Deposit date: | 2000-11-21 | Release date: | 2001-07-25 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity. Proc.Natl.Acad.Sci.USA, 98, 2001
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3VKZ
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3QUK
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![BU of 3quk by Molmil](/molmil-images/mine/3quk) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4A) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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8OZ8
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![BU of 8oz8 by Molmil](/molmil-images/mine/8oz8) | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | Deposit date: | 2023-05-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage? Acs Catalysis, 13, 2023
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6RA8
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6YS5
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![BU of 6ys5 by Molmil](/molmil-images/mine/6ys5) | Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-04-21 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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6YTF
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![BU of 6ytf by Molmil](/molmil-images/mine/6ytf) | Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-04-24 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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6TTO
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![BU of 6tto by Molmil](/molmil-images/mine/6tto) | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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6TTM
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![BU of 6ttm by Molmil](/molmil-images/mine/6ttm) | Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ... | Authors: | Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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6TTN
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![BU of 6ttn by Molmil](/molmil-images/mine/6ttn) | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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8A12
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![BU of 8a12 by Molmil](/molmil-images/mine/8a12) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2022-05-31 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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8BI8
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![BU of 8bi8 by Molmil](/molmil-images/mine/8bi8) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | Descriptor: | Nitric oxide synthase, brain | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8BI9
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![BU of 8bi9 by Molmil](/molmil-images/mine/8bi9) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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3QUL
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![BU of 3qul by Molmil](/molmil-images/mine/3qul) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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8TDM
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![BU of 8tdm by Molmil](/molmil-images/mine/8tdm) | Cryo-EM structure of AtMSL10-K539E | Descriptor: | Mechanosensitive ion channel protein 10 | Authors: | Zhang, J, Yuan, P. | Deposit date: | 2023-07-03 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10. Nat Commun, 14, 2023
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8TDK
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![BU of 8tdk by Molmil](/molmil-images/mine/8tdk) | Cryo-EM structure of AtMSL10-G556V | Descriptor: | Mechanosensitive ion channel protein 10 | Authors: | Zhang, J, Yuan, P. | Deposit date: | 2023-07-03 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10. Nat Commun, 14, 2023
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2GND
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![BU of 2gnd by Molmil](/molmil-images/mine/2gnd) | One hour EDTA treatment, P. angolensis lectin | Descriptor: | CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose, ... | Authors: | Garcia-Pino, A, Buts, L, Wyns, L, Loris, R. | Deposit date: | 2006-04-10 | Release date: | 2006-07-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin. J.Mol.Biol., 361, 2006
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3B2R
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![BU of 3b2r by Molmil](/molmil-images/mine/3b2r) | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | Deposit date: | 2007-10-19 | Release date: | 2008-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol.Pharmacol., 73, 2008
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3IE3
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![BU of 3ie3 by Molmil](/molmil-images/mine/3ie3) | Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ... | Authors: | Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. | Deposit date: | 2009-07-22 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases Cancer Res., 69, 2009
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4TZP
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![BU of 4tzp by Molmil](/molmil-images/mine/4tzp) | As Grown, Untreated Co-crystals of the Ternary Complex Containing a T-box Stem I RNA, its cognate tRNAGly, and B. subtilis YbxF protein | Descriptor: | Ribosome-associated protein L7Ae-like, engineered tRNA, glyQ T-box Stem I | Authors: | Zhang, J, Ferre-D'Amare, A.R. | Deposit date: | 2014-07-10 | Release date: | 2014-09-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (8.503 Å) | Cite: | Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration. Structure, 22, 2014
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2W6W
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![BU of 2w6w by Molmil](/molmil-images/mine/2w6w) | Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon | Descriptor: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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6W8S
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![BU of 6w8s by Molmil](/molmil-images/mine/6w8s) | Crystal structure of metacaspase 4 from Arabidopsis | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.484 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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6W8T
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![BU of 6w8t by Molmil](/molmil-images/mine/6w8t) | Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium) | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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6W8R
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![BU of 6w8r by Molmil](/molmil-images/mine/6w8r) | Crystal structure of metacaspase 4 C139A from Arabidopsis | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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