5WJQ
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![BU of 5wjq by Molmil](/molmil-images/mine/5wjq) | mouseZFP568-ZnF2-11 in complex with DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (28-MER), ZINC ION, ... | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-07-24 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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5WJZ
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![BU of 5wjz by Molmil](/molmil-images/mine/5wjz) | Cryo-EM structure of B. subtilis flagellar filaments E115G | Descriptor: | Flagellin | Authors: | Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H. | Deposit date: | 2017-07-24 | Release date: | 2017-10-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | A structural model of flagellar filament switching across multiple bacterial species. Nat Commun, 8, 2017
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5WMU
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![BU of 5wmu by Molmil](/molmil-images/mine/5wmu) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WMX
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![BU of 5wmx by Molmil](/molmil-images/mine/5wmx) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5WN8
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![BU of 5wn8 by Molmil](/molmil-images/mine/5wn8) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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6ROP
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![BU of 6rop by Molmil](/molmil-images/mine/6rop) | |
8PJ8
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![BU of 8pj8 by Molmil](/molmil-images/mine/8pj8) | FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1 | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | Deposit date: | 2023-06-23 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets. Acs Cent.Sci., 10, 2024
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4C2H
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![BU of 4c2h by Molmil](/molmil-images/mine/4c2h) | Crystal structure of the CtpB(V118Y) mutant | Descriptor: | CARBOXY-TERMINAL PROCESSING PROTEASE CTPB | Authors: | Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T. | Deposit date: | 2013-08-17 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis. Cell(Cambridge,Mass.), 155, 2013
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1V06
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5X1N
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![BU of 5x1n by Molmil](/molmil-images/mine/5x1n) | Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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6RP4
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![BU of 6rp4 by Molmil](/molmil-images/mine/6rp4) | CDT of SidD, deAMPylase from Legionella pneumophila | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, GLYCEROL, MAGNESIUM ION, ... | Authors: | Tascon, I, Lucas, M, Rojas, A.L, Hierro, A. | Deposit date: | 2019-05-13 | Release date: | 2020-10-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into the membrane targeting domain of the Legionella deAMPylase SidD. Plos Pathog., 16, 2020
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5W7C
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![BU of 5w7c by Molmil](/molmil-images/mine/5w7c) | Human acyloxyacyl hydrolase (AOAH), proteolytically processed, S263A mutant, with LPS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RU4
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5ZEE
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![BU of 5zee by Molmil](/molmil-images/mine/5zee) | Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A | Descriptor: | 1,2-ETHANEDIOL, Arginase, MANGANESE (II) ION, ... | Authors: | Malik, A, Dalal, V, Ankri, S, Tomar, S. | Deposit date: | 2018-02-27 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules. Febs J., 286, 2019
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5ZER
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![BU of 5zer by Molmil](/molmil-images/mine/5zer) | |
5ZG8
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![BU of 5zg8 by Molmil](/molmil-images/mine/5zg8) | |
5ZB9
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![BU of 5zb9 by Molmil](/molmil-images/mine/5zb9) | Crystal structure of Rtt109 from Aspergillus fumigatus | Descriptor: | DNA damage response protein Rtt109, putative, GLYCEROL | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109. Cell, 174, 2018
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5ZH5
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![BU of 5zh5 by Molmil](/molmil-images/mine/5zh5) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-2 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5Z5X
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![BU of 5z5x by Molmil](/molmil-images/mine/5z5x) | HVF18 in complex with LPS micelles | Descriptor: | Peptide from Prothrombin | Authors: | Saravanan, R, Schmidtchen, A. | Deposit date: | 2018-01-21 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides. Nat Commun, 9, 2018
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8P30
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![BU of 8p30 by Molmil](/molmil-images/mine/8p30) | Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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8P42
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![BU of 8p42 by Molmil](/molmil-images/mine/8p42) | Full length structure of TcMIP with bound inhibitor NJS227. | Descriptor: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2023-05-19 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains To Be Published
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8P8M
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![BU of 8p8m by Molmil](/molmil-images/mine/8p8m) | Yeast 60S ribosomal subunit, RPL39 deletion | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M. | Deposit date: | 2023-06-01 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Yeast 60S ribosomal subunit, RPL39 deletion To Be Published
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2AUY
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![BU of 2auy by Molmil](/molmil-images/mine/2auy) | Pterocarpus angolensis lectin in complex with the trisaccharide GlcNAc(b1-2)Man(a1-3)Man | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Beeckmans, S, Versees, W, Wyns, L, Loris, R. | Deposit date: | 2005-08-29 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin. Febs J., 273, 2006
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8P31
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![BU of 8p31 by Molmil](/molmil-images/mine/8p31) | Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate | Descriptor: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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5Z7X
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![BU of 5z7x by Molmil](/molmil-images/mine/5z7x) | Crystal structure of Striga hermonthica HTL4 (ShHTL4) | Descriptor: | 1,2-ETHANEDIOL, Hyposensitive to light 4, MAGNESIUM ION | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2018-01-30 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga. Nat Commun, 9, 2018
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