7QFH
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![BU of 7qfh by Molmil](/molmil-images/mine/7qfh) | Peptide AYFKKVL in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AMINO GROUP, CHLORIDE ION, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7QHE
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![BU of 7qhe by Molmil](/molmil-images/mine/7qhe) | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHD
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![BU of 7qhd by Molmil](/molmil-images/mine/7qhd) | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHK
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![BU of 7qhk by Molmil](/molmil-images/mine/7qhk) | Peptide QLRQQE in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7QNM
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![BU of 7qnm by Molmil](/molmil-images/mine/7qnm) | Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans | Descriptor: | (S)-2-haloacid dehalogenase, PHOSPHATE ION | Authors: | Grigorian, E, Roret, T, Leblanc, C, Delage, L, Czjzek, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans. Protein Sci., 32, 2023
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1ZH5
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![BU of 1zh5 by Molmil](/molmil-images/mine/1zh5) | Structural basis for recognition of UUUOH 3'-terminii of nascent RNA pol III transcripts by La autoantigen | Descriptor: | 5'-R(*UP*GP*CP*UP*GP*UP*UP*UP*U)-3', Lupus La protein, SULFATE ION | Authors: | Teplova, M, Yuan, Y.R, Ilin, S, Malinina, L, Phan, A.T, Teplov, A, Patel, D.J. | Deposit date: | 2005-04-22 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Recognition and Sequestration of UUU(OH) 3' Temini of Nascent RNA Polymerase III Transcripts by La, a Rheumatic Disease Autoantigen. Mol.Cell, 21, 2006
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5MDU
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![BU of 5mdu by Molmil](/molmil-images/mine/5mdu) | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe. | Descriptor: | CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ... | Authors: | Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J. | Deposit date: | 2016-11-13 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA. Nat Commun, 8, 2017
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7QJR
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![BU of 7qjr by Molmil](/molmil-images/mine/7qjr) | Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | Descriptor: | Cutinase 1, TETRAETHYLENE GLYCOL | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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4Z5V
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![BU of 4z5v by Molmil](/molmil-images/mine/4z5v) | |
5MPY
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![BU of 5mpy by Molmil](/molmil-images/mine/5mpy) | Crystal structure of Arabidopsis thaliana RNA editing factor MORF9 | Descriptor: | CALCIUM ION, Multiple organellar RNA editing factor 9, chloroplastic | Authors: | Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G. | Deposit date: | 2016-12-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. Nucleic Acids Res., 45, 2017
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5WLX
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![BU of 5wlx by Molmil](/molmil-images/mine/5wlx) | |
5ME0
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![BU of 5me0 by Molmil](/molmil-images/mine/5me0) | Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112 | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S. | Deposit date: | 2016-11-14 | Release date: | 2017-01-11 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (13.5 Å) | Cite: | Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways. Nucleic Acids Res., 45, 2017
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7QIU
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![BU of 7qiu by Molmil](/molmil-images/mine/7qiu) | |
1PG7
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![BU of 1pg7 by Molmil](/molmil-images/mine/1pg7) | Murine 6A6 Fab in complex with humanized anti-Tissue Factor D3H44 Fab | Descriptor: | humanized antibody D3H44, murine antibody 6A6 Fab fragment | Authors: | Eigenbrot, C, Meng, Y.G, Krishnamurthy, R, Lipari, M.T, Presta, L, Devaux, B, Wong, T, Moran, P, Bullens, S, Kirchhofer, D. | Deposit date: | 2003-05-27 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into how an anti-idiotypic antibody against D3H44 (anti-tissue factor antibody) restores normal coagulation. J.Mol.Biol., 331, 2003
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7QRD
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![BU of 7qrd by Molmil](/molmil-images/mine/7qrd) | Crystal structure of mouse CARM1 in complex with histone H3_10-25 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ... | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-01-11 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CARM1 Transition State Mimics To Be Published
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7QJF
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![BU of 7qjf by Molmil](/molmil-images/mine/7qjf) | Llp mutant C1G, lytic conversion lipoprotein of phage T5 | Descriptor: | Lytic conversion lipoprotein | Authors: | Degroux, S, Mestdach, E, Vives, C, Le Roy, A, Salmon, L, Herrman, T, Breyton, C. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Method: | SOLUTION NMR | Cite: | Llp mutant C1G, lytic conversion lipoprotein of phage T5 To Be Published
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1PGV
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![BU of 1pgv by Molmil](/molmil-images/mine/1pgv) | Structural Genomics of Caenorhabditis elegans: tropomodulin C-terminal domain | Descriptor: | tropomodulin TMD-1 | Authors: | Symersky, J, Lu, S, Li, S, Chen, L, Meehan, E, Luo, M, Qiu, S, Bunzel, R.J, Luo, D, Arabashi, A, Nagy, L.A, Lin, G, Luan, W.C.-H, Carson, M, Gray, R, Huang, W, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2003-05-28 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural genomics of Caenorhabditis elegans: crystal structure of the tropomodulin C-terminal domain Proteins, 56, 2004
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5M64
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![BU of 5m64 by Molmil](/molmil-images/mine/5m64) | RNA Polymerase I elongation complex with A49 tandem winged helix domain | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Hoffmann, N.A, Jakobi, A.J, Wetzel, R, Hagen, W.J.H, Sachse, C, Muller, C.W. | Deposit date: | 2016-10-24 | Release date: | 2016-12-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Molecular Structures of Transcribing RNA Polymerase I. Mol. Cell, 64, 2016
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1WA9
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![BU of 1wa9 by Molmil](/molmil-images/mine/1wa9) | Crystal Structure of the PAS repeat region of the Drosophila clock protein PERIOD | Descriptor: | PERIOD CIRCADIAN PROTEIN | Authors: | Yildiz, O, Doi, M, Yujnovsky, I, Cardone, L, Berndt, A, Hennig, S, Schulze, S, Urbanke, C, Sassone-Corsi, P, Wolf, E. | Deposit date: | 2004-10-25 | Release date: | 2005-01-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal Structure and Interactions of the Pas Repeat Region of the Drosophila Clock Protein Period Mol.Cell, 17, 2005
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1W4R
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![BU of 1w4r by Molmil](/molmil-images/mine/1w4r) | Structure of a type II thymidine kinase with bound dTTP | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | Authors: | Birringer, M.S, Claus, M.T, Folkers, G, Kloer, D.P, Schulz, G.E, Scapozza, L. | Deposit date: | 2004-07-27 | Release date: | 2005-02-01 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of a Type II Thymidine Kinase with Bound Dttp FEBS Lett., 579, 2005
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1W6H
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![BU of 1w6h by Molmil](/molmil-images/mine/1w6h) | Novel plasmepsin II-inhibitor complex | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-18 | Release date: | 2006-07-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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7QJQ
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![BU of 7qjq by Molmil](/molmil-images/mine/7qjq) | Crystal structure of a cutinase enzyme from Thermobifida fusca NTU22 (702) | Descriptor: | Acetylxylan esterase, DI(HYDROXYETHYL)ETHER | Authors: | Zahn, M, Gill, R.S, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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4Z9M
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![BU of 4z9m by Molmil](/molmil-images/mine/4z9m) | Crystal structure of human sarcomeric mitochondrial creatine kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-04-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human sarcomeric mitochondrial creatine kinase To Be Published
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7QJP
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![BU of 7qjp by Molmil](/molmil-images/mine/7qjp) | Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611) | Descriptor: | Cutinase, TETRAETHYLENE GLYCOL | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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1W5V
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![BU of 1w5v by Molmil](/molmil-images/mine/1w5v) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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