8OYY
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![BU of 8oyy by Molmil](/molmil-images/mine/8oyy) | De novo designed soluble GPCR-like fold GLF_32 | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION | Authors: | Pacesa, M, Correia, B.E. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Computational design of soluble functional analogues of integral membrane proteins. Biorxiv, 2024
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8C4L
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5KDH
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![BU of 5kdh by Molmil](/molmil-images/mine/5kdh) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR | Descriptor: | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2016-06-08 | Release date: | 2017-08-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen. J. Med. Chem., 60, 2017
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5KDU
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![BU of 5kdu by Molmil](/molmil-images/mine/5kdu) | ZmpB metallopeptidase in complex with a2,6-Sialyl T-antigen | Descriptor: | 1,2-ETHANEDIOL, F5/8 type C domain protein, SERINE, ... | Authors: | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | Deposit date: | 2016-06-08 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of protein-linked glycans as a determinant of peptidase activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6V3T
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7OB4
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1XMT
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![BU of 1xmt by Molmil](/molmil-images/mine/1xmt) | X-ray structure of gene product from arabidopsis thaliana at1g77540 | Descriptor: | BROMIDE ION, putative acetyltransferase | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-10-04 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
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5IYZ
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![BU of 5iyz by Molmil](/molmil-images/mine/5iyz) | Tubulin-MMAE complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | Deposit date: | 2016-03-24 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. Plos One, 11, 2016
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6FLD
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![BU of 6fld by Molmil](/molmil-images/mine/6fld) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-01-25 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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5UHY
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![BU of 5uhy by Molmil](/molmil-images/mine/5uhy) | A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | Descriptor: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | Authors: | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | A human antibody against Zika virus crosslinks the E protein to prevent infection. Nat Commun, 8, 2017
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5E7C
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![BU of 5e7c by Molmil](/molmil-images/mine/5e7c) | Macromolecular diffractive imaging using imperfect crystals - Bragg data | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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1XV3
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![BU of 1xv3 by Molmil](/molmil-images/mine/1xv3) | NMR structure of the synthetic penaeidin 4 | Descriptor: | Penaeidin-4d | Authors: | Cuthbertson, B.J, Yang, Y, Bullesbach, E.E, Bachere, E, Gross, P.S, Aumelas, A. | Deposit date: | 2004-10-27 | Release date: | 2005-02-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of synthetic penaeidin-4 with structural and functional comparisons to penaeidin-3 J.Biol.Chem., 280, 2005
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2N2A
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![BU of 2n2a by Molmil](/molmil-images/mine/2n2a) | Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains | Descriptor: | Receptor tyrosine-protein kinase erbB-2 | Authors: | Bragin, P.E, Mineev, K.S, Bocharov, E, Bocharova, O, Arseniev, A. | Deposit date: | 2015-05-05 | Release date: | 2016-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HER2 Transmembrane Domain Dimerization Coupled with Self-Association of Membrane-Embedded Cytoplasmic Juxtamembrane Regions. J.Mol.Biol., 428, 2016
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6FHJ
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![BU of 6fhj by Molmil](/molmil-images/mine/6fhj) | Structural dynamics and catalytic properties of a multi-modular xanthanase, native. | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-14 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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7UKV
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![BU of 7ukv by Molmil](/molmil-images/mine/7ukv) | Wild type EGFR in complex with Lazertinib (YH25448) | Descriptor: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | Authors: | Beyett, T.S, Pham, C, Eck, M.J, Heppner, D.E. | Deposit date: | 2022-04-02 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
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6YCZ
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![BU of 6ycz by Molmil](/molmil-images/mine/6ycz) | Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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8CKG
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![BU of 8ckg by Molmil](/molmil-images/mine/8ckg) | Semaphorin-5A TSR 3-4 domains in complex with sulfate | Descriptor: | SULFATE ION, Semaphorin-5A, alpha-D-mannopyranose | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.714 Å) | Cite: | Semaphorin-5A TSR 3-4 domains in complex with sulfate To Be Published
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4WFC
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![BU of 4wfc by Molmil](/molmil-images/mine/4wfc) | Structure of the Rrp6-Rrp47 interaction | Descriptor: | Exosome complex exonuclease RRP6, Exosome complex protein LRP1, SULFATE ION | Authors: | Schuch, B, Conti, E. | Deposit date: | 2014-09-14 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The exosome-binding factors Rrp6 and Rrp47 form a composite surface for recruiting the Mtr4 helicase. Embo J., 33, 2014
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8CKK
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![BU of 8ckk by Molmil](/molmil-images/mine/8ckk) | Semaphorin-5A TSR 3-4 domains in complex with nitrate | Descriptor: | NITRATE ION, Semaphorin-5A, alpha-D-mannopyranose | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Semaphorin-5A TSR 3-4 domains in complex with nitrate To Be Published
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8CKL
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![BU of 8ckl by Molmil](/molmil-images/mine/8ckl) | Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-2)-1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose, Semaphorin-5A, alpha-D-mannopyranose | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) To Be Published
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7UKW
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![BU of 7ukw by Molmil](/molmil-images/mine/7ukw) | EGFR(T790M/V948R) in complex with Lazertinib (YH25448) | Descriptor: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | Authors: | Pham, C.D, Heppner, D.E. | Deposit date: | 2022-04-02 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
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6FD1
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![BU of 6fd1 by Molmil](/molmil-images/mine/6fd1) | 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A | Descriptor: | 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | Deposit date: | 1997-09-17 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy. J.Mol.Biol., 278, 1998
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6V1C
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![BU of 6v1c by Molmil](/molmil-images/mine/6v1c) | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | Deposit date: | 2019-11-20 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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4WH0
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![BU of 4wh0 by Molmil](/molmil-images/mine/4wh0) | YcaC from Pseudomonas aeruginosa with S-mercaptocysteine active site cysteine | Descriptor: | CHLORIDE ION, Putative hydrolase | Authors: | Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E. | Deposit date: | 2014-09-19 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.563 Å) | Cite: | Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct. Int J Mol Sci, 16, 2015
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7UO4
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![BU of 7uo4 by Molmil](/molmil-images/mine/7uo4) | SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | Deposit date: | 2022-04-12 | Release date: | 2022-11-30 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase. Nature, 614, 2023
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