8BSW
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6Y83
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![BU of 6y83 by Molmil](/molmil-images/mine/6y83) | Capsid structure of Leishmania RNA virus 1 | Descriptor: | Capsid protein | Authors: | Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P. | Deposit date: | 2020-03-03 | Release date: | 2020-11-11 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Capsid Structure of Leishmania RNA Virus 1. J.Virol., 95, 2021
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6Y9Y
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![BU of 6y9y by Molmil](/molmil-images/mine/6y9y) | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13) | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2020-03-10 | Release date: | 2020-08-19 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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8BSV
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7KEA
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6YCD
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![BU of 6ycd by Molmil](/molmil-images/mine/6ycd) | Structure the ananain protease from Ananas comosus covalently bound to the TLCK inhibitor | Descriptor: | Ananain, GLYCEROL, N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, ... | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | Deposit date: | 2020-03-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
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6QNZ
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![BU of 6qnz by Molmil](/molmil-images/mine/6qnz) | Crystal structure of the site-specific DNA nickase N.BspD6I E418A Mutant | Descriptor: | GLYCEROL, Heterodimeric restriction endonuclease R.BspD6I large subunit, PHOSPHATE ION | Authors: | Artyukh, R.I, Kachalova, G.S, Yunusova, A.K, Gabdulkhakov, A.G, Fatkhullin, B.F, Atanasov, B.P, Perevyazova, T.A, Popov, A.N, Zheleznaya, L.A. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The key role of E418 carboxyl group in the formation of Nt.BspD6I nickase active site: Structural and functional properties of Nt.BspD6I E418A mutant. J.Struct.Biol., 210, 2020
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8BV8
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![BU of 8bv8 by Molmil](/molmil-images/mine/8bv8) | Crystal structure of the phage Mu protein Mom inactive mutant S124A | Descriptor: | Methylcarbamoylase mom | Authors: | Silva, R.M.B, Slyvka, A, Lee, Y.J, Guan, C, Lund, S.R, Raleigh, E.A, Skowronek, K, Bochtler, M, Weigele, P.R. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of the phage Mu protein Mom catalytic mutant S124A To Be Published
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2VXH
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![BU of 2vxh by Molmil](/molmil-images/mine/2vxh) | The crystal structure of chlorite dismutase: a detox enzyme producing molecular oxygen | Descriptor: | CARBONATE ION, CHLORITE DISMUTASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | De Geus, D.C, Thomassen, E.A.J, Hagedoorn, P.L, Pannu, N.S, Abrahams, J.P. | Deposit date: | 2008-07-04 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Chlorite Dismutase, a Detoxifying Enzyme Producing Molecular Oxygen J.Mol.Biol., 387, 2009
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7XTJ
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![BU of 7xtj by Molmil](/molmil-images/mine/7xtj) | Crystal structure of E88A mutant of GH3 beta-xylosidase from Aspergillus niger (AnBX) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Kaenying, W, Kongsaeree, P.T, Tagami, T. | Deposit date: | 2022-05-17 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and identification of amino acid residues for catalysis and binding of GH3 AnBX beta-xylosidase from Aspergillus niger. Appl.Microbiol.Biotechnol., 107, 2023
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5H23
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![BU of 5h23 by Molmil](/molmil-images/mine/5h23) | Crystal structure of Chikungunya virus capsid protein | Descriptor: | 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sharma, R, Kesari, P, Tomar, S, Kumar, P. | Deposit date: | 2016-10-14 | Release date: | 2018-03-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket. Virology, 515, 2018
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3RLQ
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![BU of 3rlq by Molmil](/molmil-images/mine/3rlq) | Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile | Descriptor: | 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION | Authors: | Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. | Deposit date: | 2011-04-20 | Release date: | 2011-06-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone. Bioorg.Med.Chem.Lett., 21, 2011
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1QD3
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![BU of 1qd3 by Molmil](/molmil-images/mine/1qd3) | HIV-1 TAR RNA/NEOMYCIN B COMPLEX | Descriptor: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-alpha-D-ribofuranose, 2-DEOXYSTREPTAMINE, ... | Authors: | Faber, C, Sticht, H, Roesch, P. | Deposit date: | 1999-07-07 | Release date: | 2000-07-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural rearrangements of HIV-1 Tat-responsive RNA upon binding of neomycin B. J.Biol.Chem., 275, 2000
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7AQB
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![BU of 7aqb by Molmil](/molmil-images/mine/7aqb) | Crystal structure of human mitogen activated protein kinase 6 (MAPK6) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mitogen-activated protein kinase 6 | Authors: | Filippakopoulos, P, Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-10-20 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3. Int J Mol Sci, 21, 2020
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6YOB
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![BU of 6yob by Molmil](/molmil-images/mine/6yob) | Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ... | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | Deposit date: | 2020-04-14 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography. Iucrj, 7, 2020
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5G1W
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![BU of 5g1w by Molmil](/molmil-images/mine/5g1w) | Apo Structure of Linalool Dehydratase-Isomerase | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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6YP9
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![BU of 6yp9 by Molmil](/molmil-images/mine/6yp9) | Rabbit muscle actin in complex with ADF-H and ATP-ATTO-488 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kogan, K, Kotila, T, Lappalainen, P. | Deposit date: | 2020-04-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | A functional family of fluorescent nucleotide analogues to investigate actin dynamics and energetics. Nat Commun, 12, 2021
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6YPG
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6YPK
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![BU of 6ypk by Molmil](/molmil-images/mine/6ypk) | Crystal Structure of CK2alpha with GTP bound | Descriptor: | Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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4BC1
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![BU of 4bc1 by Molmil](/molmil-images/mine/4bc1) | Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | Authors: | Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. | Deposit date: | 2012-09-30 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
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6Y9W
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![BU of 6y9w by Molmil](/molmil-images/mine/6y9w) | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8) | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2020-03-10 | Release date: | 2020-08-19 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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6QQ3
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![BU of 6qq3 by Molmil](/molmil-images/mine/6qq3) | The room temperature structure of lysozyme via the acoustic levitation of a droplet | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Axford, D.N, Docker, P, Dye, E, Morris, R. | Deposit date: | 2019-02-17 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation. Sci Rep, 9, 2019
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/7k6n) | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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6YDF
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![BU of 6ydf by Molmil](/molmil-images/mine/6ydf) | X-ray structure of LPMO. | Descriptor: | COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, SULFATE ION | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | Deposit date: | 2020-03-20 | Release date: | 2020-09-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases. Biochemistry, 59, 2020
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6WDQ
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![BU of 6wdq by Molmil](/molmil-images/mine/6wdq) | IL23/IL23R/IL12Rb1 signaling 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, Interleukin-12 receptor subunit beta-1, ... | Authors: | Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C. | Deposit date: | 2020-04-01 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells. Cell, 184, 2021
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