4RBW
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![BU of 4rbw by Molmil](/molmil-images/mine/4rbw) | Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | Descriptor: | CHLORIDE ION, Defensin-5, SULFATE ION | Authors: | Pazgier, M, Gohain, N, Tolbert, W.D. | Deposit date: | 2014-09-13 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of a potent antibiotic peptide based on the active region of human defensin 5. J.Med.Chem., 58, 2015
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6O0I
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![BU of 6o0i by Molmil](/molmil-images/mine/6o0i) | NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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1EJN
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![BU of 1ejn by Molmil](/molmil-images/mine/1ejn) | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX | Descriptor: | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Sperl, S, Jacob, U, Arroyo de Prada, N, Stuerzebecher, J, Wilhelm, O.G, Bode, W, Magdolen, V, Huber, R, Moroder, L. | Deposit date: | 2000-04-22 | Release date: | 2000-05-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | (4-aminomethyl)phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase. Proc.Natl.Acad.Sci.USA, 97, 2000
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1EKK
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![BU of 1ekk by Molmil](/molmil-images/mine/1ekk) | CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN THE R3 FORM WITH HYDROXYETHYLTHIAZOLE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, HYDROXYETHYLTHIAZOLE KINASE, SULFUR DIOXIDE | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-03-09 | Release date: | 2000-08-09 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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1EJO
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![BU of 1ejo by Molmil](/molmil-images/mine/1ejo) | FAB FRAGMENT OF NEUTRALISING MONOCLONAL ANTIBODY 4C4 COMPLEXED WITH G-H LOOP FROM FMDV. | Descriptor: | FMDV PEPTIDE, IGG2A MONOCLONAL ANTIBODY (HEAVY CHAIN), IGG2A MONOCLONAL ANTIBODY (LIGHT CHAIN) | Authors: | Ochoa, W.F, Kalko, S.G, Gomes, P, Fita, I, Verdaguer, N. | Deposit date: | 2000-03-03 | Release date: | 2000-03-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A multiply substituted G-H loop from foot-and-mouth disease virus in complex with a neutralizing antibody: a role for water molecules. J.Gen.Virol., 81, 2000
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6NPO
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![BU of 6npo by Molmil](/molmil-images/mine/6npo) | Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain) | Descriptor: | Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ... | Authors: | Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-18 | Release date: | 2019-02-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of oligopeptide ABC transporter from
Bacillus anthracis str. Ames (substrate-binding domain) To Be Published
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6Z0S
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![BU of 6z0s by Molmil](/molmil-images/mine/6z0s) | Allostery through DNA drives phenotype switching | Descriptor: | comG promoter DNA - strand A, comG promoter DNA - strand B | Authors: | Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H. | Deposit date: | 2020-05-11 | Release date: | 2021-04-07 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Allostery through DNA drives phenotype switching. Nat Commun, 12, 2021
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5Z5H
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![BU of 5z5h by Molmil](/molmil-images/mine/5z5h) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose | Descriptor: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose | Authors: | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | Deposit date: | 2018-01-18 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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6N5V
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![BU of 6n5v by Molmil](/molmil-images/mine/6n5v) | Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine | Descriptor: | 2-(1H-indol-4-yl)ethan-1-amine, Strictosidine synthase | Authors: | Cai, Y, Shao, N, Xie, H, Futamura, Y, Panjikar, S, Liu, H, Zhu, H, Osada, H, Zou, H. | Deposit date: | 2018-11-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Crystal Structure of Strictosidine in complex with 1H-indole-4-ethanamine to be published
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6N87
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![BU of 6n87 by Molmil](/molmil-images/mine/6n87) | Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide | Descriptor: | Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp | Authors: | McGowan, S, Drinkwater, N. | Deposit date: | 2018-11-28 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe. ChemMedChem, 14, 2019
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6N8T
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![BU of 6n8t by Molmil](/molmil-images/mine/6n8t) | Hsp104DWB closed conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104 | Authors: | Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F. | Deposit date: | 2018-11-30 | Release date: | 2019-01-02 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation. Cell Rep, 26, 2019
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6ZGN
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![BU of 6zgn by Molmil](/molmil-images/mine/6zgn) | Crystal structure of VirB8-like OrfG central domain of Streptococcus thermophilus ICESt3; a putative assembly factor of a gram positive conjugative Type IV secretion system. | Descriptor: | Putative transfer protein | Authors: | Cappele, J, Mohamad-Ali, A, Leblond-Bourget, N, Payot-Lacroix, S, Mathiot, S, Didierjean, C, Favier, F, Douzi, B. | Deposit date: | 2020-06-19 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Analysis of OrfG: The VirB8-like Component of the Conjugative Type IV Secretion System of ICE St3 From Streptococcus thermophilus . Front Mol Biosci, 8, 2021
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6MGG
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![BU of 6mgg by Molmil](/molmil-images/mine/6mgg) | Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, MAGNESIUM ION, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-13 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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2WVK
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![BU of 2wvk by Molmil](/molmil-images/mine/2wvk) | Mannosyl-3-phosphoglycerate synthase from Thermus thermophilus HB27 apoprotein | Descriptor: | CITRATE ANION, MANNOSYL-3-PHOSPHOGLYCERATE SYNTHASE, ZINC ION | Authors: | Goncalves, S, Borges, N, Esteves, A.M, Victor, B, Soares, C.M, Santos, H, Matias, P.M. | Deposit date: | 2009-10-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural Analysis of Thermus Thermophilus Hb27 Mannosyl-3-Phosphoglycerate Synthase Provides Evidence for a Second Catalytic Metal Ion and New Insight Into the Retaining Mechanism of Glycosyltransferases. J.Biol.Chem., 285, 2010
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6JP6
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![BU of 6jp6 by Molmil](/molmil-images/mine/6jp6) | The X-ray structure of yeast tRNA methyltransferase complex of Trm7 and Trm734 essential for 2'-O-methylation at the first position of anticodon in specific tRNAs | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, tRNA (cytidine(34)/guanosine(34)-2'-O)-methyltransferase, ... | Authors: | Hirata, A, Okada, K, Yoshii, K, Shiraisi, H, Saijo, S, Yonezawa, K, Sihimzu, N, Hori, H. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Structure of tRNA methyltransferase complex of Trm7 and Trm734 reveals a novel binding interface for tRNA recognition. Nucleic Acids Res., 47, 2019
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1G9K
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1FZM
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![BU of 1fzm by Molmil](/molmil-images/mine/1fzm) | MHC CLASS I NATURAL MUTANT H-2KBM8 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
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4ET9
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![BU of 4et9 by Molmil](/molmil-images/mine/4et9) | Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4ETD
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![BU of 4etd by Molmil](/molmil-images/mine/4etd) | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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6N1Y
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![BU of 6n1y by Molmil](/molmil-images/mine/6n1y) | Structure of L509V CAO1 - growth condition 1 | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | Authors: | Khadka, N, Kiser, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases. J.Biol.Chem., 294, 2019
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1G4P
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![BU of 1g4p by Molmil](/molmil-images/mine/1g4p) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE, MAGNESIUM ION, THIAMIN PHOSPHATE SYNTHASE | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-27 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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1GJG
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![BU of 1gjg by Molmil](/molmil-images/mine/1gjg) | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | Descriptor: | IGFBP-1 antagonist, PENTANE | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | Deposit date: | 2001-05-11 | Release date: | 2001-05-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1. Biochemistry, 40, 2001
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1G75
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![BU of 1g75 by Molmil](/molmil-images/mine/1g75) | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG): 5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2000-11-09 | Release date: | 2001-02-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers? Acta Crystallogr.,Sect.D, 57, 2001
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6N7H
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![BU of 6n7h by Molmil](/molmil-images/mine/6n7h) | Cryo-EM structure of the 2:1 hPtch1-Shhp complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-11-27 | Release date: | 2019-05-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm. Nat Commun, 10, 2019
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6N21
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![BU of 6n21 by Molmil](/molmil-images/mine/6n21) | Structure of wild-type CAO1 | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | Authors: | Khadka, N, Kiser, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases. J.Biol.Chem., 294, 2019
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