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PDB: 42439 results

3CJ5
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Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide, RNA-directed RNA polymerase
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6YFH
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BU of 6yfh by Molmil
Virus-like particle of bacteriophage EMS014
Descriptor: coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.893 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
6YFQ
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BU of 6yfq by Molmil
Virus-like particle of bacteriophage NT-214
Descriptor: coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
6YFA
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Virus-like particle of bacteriophage AVE015
Descriptor: CALCIUM ION, coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
6YFN
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BU of 6yfn by Molmil
Virus-like particle of bacteriophage ESE058
Descriptor: CALCIUM ION, coat protein
Authors:Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K.
Deposit date:2020-03-26
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.189 Å)
Cite:Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
3CFA
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BU of 3cfa by Molmil
Anemonia sulcata red fluorescent protein asRFP
Descriptor: GFP-like fluorescent protein
Authors:Kachalova, G.S, Gundel, S, Wiedenmann, J, Bartunik, H.D.
Deposit date:2008-03-03
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Anemonia sulcata red fluorescent protein asRFP
To be Published
5C7J
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BU of 5c7j by Molmil
CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
3CFH
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BU of 3cfh by Molmil
Photoswitchable red fluorescent protein psRFP, off-state
Descriptor: GFP-like photoswitchable fluorescent protein
Authors:Kachalova, G.S, Gundel, S, Bartunik, H.D, Wiedenmann, J.
Deposit date:2008-03-03
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of red fluorescent protein asRFP
To be Published
6YEK
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Crystal structure of human NEMO apo form
Descriptor: Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b
Authors:Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I.
Deposit date:2020-03-25
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
6QF1
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BU of 6qf1 by Molmil
X-Ray structure of Proteinase K crystallized on a silicon chip
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6FW0
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BU of 6fw0 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
Deposit date:2018-03-05
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWC
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BU of 6fwc by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
Deposit date:2018-03-06
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
3D5I
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BU of 3d5i by Molmil
Crystal structure of ribonuclease Sa2 with exo-2',3'-cyclophosphorotioate
Descriptor: GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, Ribonuclease, SULFATE ION
Authors:Bauerova-Hlinkova, V, Sevcik, J.
Deposit date:2008-05-16
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
6YGN
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BU of 6ygn by Molmil
Titin kinase and its flanking domains
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Titin
Authors:Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere.
Embo Rep., 22, 2021
6YM5
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BU of 6ym5 by Molmil
Crystal structure of BAY-091 with PIP4K2A
Descriptor: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
3CIZ
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BU of 3ciz by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
Descriptor: 2-amino-5-bromobenzoic acid, RNA-directed RNA polymerase, ZINC ION
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2XR6
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BU of 2xr6 by Molmil
Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic.
Descriptor: 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ...
Authors:Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F.
Deposit date:2010-09-10
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
6YM3
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BU of 6ym3 by Molmil
Crystal structure of Compound 1 with PIP4K2A
Descriptor: (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YM4
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BU of 6ym4 by Molmil
Crystal structure of BAY-297 with PIP4K2A
Descriptor: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
Descriptor: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
Authors:Damborsky, J, Marek, M.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
6X1Q
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BU of 6x1q by Molmil
1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope
Descriptor: Beta-galactosidase, MAGNESIUM ION, SODIUM ION
Authors:Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S.
Deposit date:2020-05-19
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope.
Iucrj, 7, 2020
6PYC
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BU of 6pyc by Molmil
Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin
Descriptor: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ...
Authors:Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
8TRC
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BU of 8trc by Molmil
mGluR3 in the presence of the antagonist LY 341495 and positive allosteric modulator VU6023326
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TR2
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mGluR3 in the presence of the agonist LY379268
Descriptor: (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TQB
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BU of 8tqb by Molmil
mGluR3 in the presence of the agonist LY379268 and PAM VU6023326
Descriptor: (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
Authors:Strauss, A, Levitz, J.
Deposit date:2023-08-06
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023

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PDB entries from 2024-08-07

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