7SH7
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![BU of 7sh7 by Molmil](/molmil-images/mine/7sh7) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
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7S4U
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![BU of 7s4u by Molmil](/molmil-images/mine/7s4u) | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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7S4V
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![BU of 7s4v by Molmil](/molmil-images/mine/7s4v) | Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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7S4X
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![BU of 7s4x by Molmil](/molmil-images/mine/7s4x) | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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3QTE
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![BU of 3qte by Molmil](/molmil-images/mine/3qte) | |
5A34
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![BU of 5a34 by Molmil](/molmil-images/mine/5a34) | The crystal structure of the GST-like domains complex of EPRS-AIMP2 | Descriptor: | AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONAL PROTEIN 2, BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE, GLYCEROL | Authors: | Cho, H.Y, Kang, B.S. | Deposit date: | 2015-05-27 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Assembly of Multi-tRNA Synthetase Complex Via Heterotetrameric Glutathione Transferase-Homology Domains. J.Biol.Chem., 290, 2015
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8FWM
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![BU of 8fwm by Molmil](/molmil-images/mine/8fwm) | Structure of tail-neck junction of Agrobacterium phage Milano | Descriptor: | Collar sheath protein, gp13, Tail sheath protein, ... | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | Deposit date: | 2023-01-23 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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1VLS
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![BU of 1vls by Molmil](/molmil-images/mine/1vls) | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR | Descriptor: | ASPARTATE RECEPTOR | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | Deposit date: | 1996-09-17 | Release date: | 1997-04-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor. J.Mol.Biol., 262, 1996
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1VLT
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![BU of 1vlt by Molmil](/molmil-images/mine/1vlt) | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE | Descriptor: | ASPARTATE RECEPTOR, ASPARTIC ACID | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | Deposit date: | 1996-09-17 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor. J.Mol.Biol., 262, 1996
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2ZTD
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![BU of 2ztd by Molmil](/molmil-images/mine/2ztd) | MtRuvA Form III | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-10-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability Biochim.Biophys.Acta, 1794, 2009
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1X92
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![BU of 1x92 by Molmil](/molmil-images/mine/1x92) | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, PHOSPHOHEPTOSE ISOMERASE | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-19 | Release date: | 2004-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants. J.Biol.Chem., 283, 2008
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7R53
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![BU of 7r53 by Molmil](/molmil-images/mine/7r53) | Crystal structure of human TLR8 in complex with Compound 15 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2022-02-10 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.121 Å) | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. Acs Med.Chem.Lett., 13, 2022
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7R52
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![BU of 7r52 by Molmil](/molmil-images/mine/7r52) | Crystal structure of human TLR8 in complex with Compound 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2022-02-10 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.943 Å) | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. Acs Med.Chem.Lett., 13, 2022
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7R54
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![BU of 7r54 by Molmil](/molmil-images/mine/7r54) | Crystal structure of human TLR8 in complex with Compound 4 | Descriptor: | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2022-02-10 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.836 Å) | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. Acs Med.Chem.Lett., 13, 2022
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2ZTE
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![BU of 2zte by Molmil](/molmil-images/mine/2zte) | MtRuvA Form IV | Descriptor: | Holliday junction ATP-dependent DNA helicase ruvA | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-10-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability Biochim.Biophys.Acta, 1794, 2009
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5AFW
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![BU of 5afw by Molmil](/molmil-images/mine/5afw) | Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | Authors: | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | Deposit date: | 2015-01-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation. Nat.Struct.Mol.Biol., 23, 2016
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7R5B
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![BU of 7r5b by Molmil](/molmil-images/mine/7r5b) | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | Authors: | Huegle, M. | Deposit date: | 2022-02-10 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A novel pan-selective bromodomain inhibitor for epigenetic drug design Eur.J.Med.Chem., 249, 2023
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4YQM
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![BU of 4yqm by Molmil](/molmil-images/mine/4yqm) | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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4YJ4
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![BU of 4yj4 by Molmil](/molmil-images/mine/4yj4) | Crystal structure of Bcl-xL in complex with the BIM BH3 domain containing Ile155-to-Arg and Glu158-to-phosphoserine mutations | Descriptor: | ACETATE ION, Bcl-2-like protein 1, BIM BH3 domain, ... | Authors: | Ku, B, Ha, N.-C, Oh, B.-H. | Deposit date: | 2015-03-03 | Release date: | 2015-07-29 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conversion of cell-survival activity of Akt into apoptotic death of cancer cells by two mutations on the BIM BH3 domain. Cell Death Dis, 6, 2015
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5AWZ
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![BU of 5awz by Molmil](/molmil-images/mine/5awz) | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.57 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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5B89
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![BU of 5b89 by Molmil](/molmil-images/mine/5b89) | |
5AX1
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![BU of 5ax1 by Molmil](/molmil-images/mine/5ax1) | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.80 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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6N5P
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![BU of 6n5p by Molmil](/molmil-images/mine/6n5p) | Structure of Human pir-miRNA-340 Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Shoffner, G.M, Peng, Z, Guo, F. | Deposit date: | 2018-11-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.991 Å) | Cite: | Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography To Be Published
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6N7Q
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![BU of 6n7q by Molmil](/molmil-images/mine/6n7q) | |
4ZTC
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![BU of 4ztc by Molmil](/molmil-images/mine/4ztc) | PglE Aminotransferase in complex with External Aldimine, Mutant K184A | Descriptor: | Aminotransferase homolog, [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Authors: | Riegert, A.S, Thoden, J.B, Young, N.M, Watson, D.C, Holden, H.M. | Deposit date: | 2015-05-14 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the external aldimine form of PglE, an aminotransferase required for N,N'-diacetylbacillosamine biosynthesis. Protein Sci., 24, 2015
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