7F7C
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![BU of 7f7c by Molmil](/molmil-images/mine/7f7c) | Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenosine at pH 5.5 | Descriptor: | ADENOSINE, Acid phosphatase, MAGNESIUM ION, ... | Authors: | Gaur, N.K, Kumar, A, Sunder, S, Mukhopadhyaya, R, Makde, R.D. | Deposit date: | 2021-06-28 | Release date: | 2022-07-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published
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3ZUE
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![BU of 3zue by Molmil](/molmil-images/mine/3zue) | Rabbit Hemorrhagic Disease Virus (RHDV)capsid protein | Descriptor: | CAPSID STRUCTURAL PROTEIN VP60 | Authors: | Luque, D, Gonzalez, J.M, Gomez-Blanco, J, Marabini, R, Chichon, J, Mena, I, Angulo, I, Carrascosa, J.L, Verdaguer, N, Trus, B.L, Barcena, J, Caston, J.R. | Deposit date: | 2011-07-18 | Release date: | 2012-05-23 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.3 Å) | Cite: | Epitope Insertion at the N-Terminal Molecular Switch of the Rabbit Hemorrhagic Disease Virus T=3 Capsid Protein Leads to Larger T=4 Capsids. J.Virol., 86, 2012
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7FBL
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![BU of 7fbl by Molmil](/molmil-images/mine/7fbl) | Thrombocorticin in complex with Ca2+ and mannose | Descriptor: | CALCIUM ION, Thrombocorticin, alpha-D-mannopyranose | Authors: | Kageyama, H, Onodera, K, Sakai, R, Tanaka, Y. | Deposit date: | 2021-07-11 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | A marine sponge-derived lectin reveals hidden pathway for thrombopoietin receptor activation. Nat Commun, 13, 2022
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3ZM9
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![BU of 3zm9 by Molmil](/molmil-images/mine/3zm9) | The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor | Descriptor: | 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R. | Deposit date: | 2013-02-06 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor Angew.Chem.Int.Ed.Engl., 52, 2013
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3ZSI
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![BU of 3zsi by Molmil](/molmil-images/mine/3zsi) | X-ray structure of p38alpha bound to VX-745 | Descriptor: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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6HUK
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![BU of 6huk by Molmil](/molmil-images/mine/6huk) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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4CT3
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![BU of 4ct3 by Molmil](/molmil-images/mine/4ct3) | Methylmercury chloride derivative structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sanz-Gaitero, M, Keary, R, Garcia-Doval, C, Coffey, A, van Raaij, M.J. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the lytic CHAP(K) domain of the endolysin LysK from Staphylococcus aureus bacteriophage K. Virol. J., 11, 2014
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6H8A
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![BU of 6h8a by Molmil](/molmil-images/mine/6h8a) | MamM CTD D249N - Cadmium form | Descriptor: | BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | MamM CTD D249N - Cadmium form To Be Published
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6HAO
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![BU of 6hao by Molmil](/molmil-images/mine/6hao) | MamM CTD H264E - Cadmium form 2 | Descriptor: | BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-08 | Release date: | 2019-08-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | MamM CTD H264E - Cadmium form 2 To Be Published
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1RQH
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![BU of 1rqh by Molmil](/molmil-images/mine/1rqh) | Propionibacterium shermanii transcarboxylase 5S subunit bound to pyruvic acid | Descriptor: | COBALT (II) ION, PYRUVIC ACID, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2003-12-05 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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3X1K
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6HJ5
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![BU of 6hj5 by Molmil](/molmil-images/mine/6hj5) | Crystal structure of Whitewater Arroyo virus GP1 glycoprotein at pH 5.6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex | Authors: | Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A. | Deposit date: | 2018-08-31 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1. J. Virol., 93, 2019
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6HJC
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![BU of 6hjc by Molmil](/molmil-images/mine/6hjc) | Crystal structure of Loei River virus GP1 glycoprotein at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Pre-glycoprotein polyprotein GP complex | Authors: | Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A. | Deposit date: | 2018-09-03 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1. J. Virol., 93, 2019
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7FD7
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![BU of 7fd7 by Molmil](/molmil-images/mine/7fd7) | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid | Descriptor: | Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-07-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid To Be Published
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6HJJ
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![BU of 6hjj by Molmil](/molmil-images/mine/6hjj) | Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2018-09-04 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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3ZS5
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![BU of 3zs5 by Molmil](/molmil-images/mine/3zs5) | Structural basis for kinase selectivity of three clinical p38alpha inhibitors | Descriptor: | 1,2-ETHANEDIOL, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MITOGEN-ACTIVATED PROTEIN KINASE 14, ... | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H.C.A, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-23 | Release date: | 2012-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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3ZR5
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![BU of 3zr5 by Molmil](/molmil-images/mine/3zr5) | STRUCTURE OF GALACTOCEREBROSIDASE FROM MOUSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Deane, J.E, Graham, S.C, Kim, N.N, Stein, P.E, Mcnair, R, Cachon-Gonzalez, M.B, Cox, T.M, Read, R.J. | Deposit date: | 2011-06-14 | Release date: | 2011-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights Into Krabbe Disease from Structures of Galactocerebrosidase. Proc.Natl.Acad.Sci.USA, 108, 2011
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6HNZ
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![BU of 6hnz by Molmil](/molmil-images/mine/6hnz) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231 | Descriptor: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
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6HO2
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6HO7
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![BU of 6ho7 by Molmil](/molmil-images/mine/6ho7) | |
3ZVG
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![BU of 3zvg by Molmil](/molmil-images/mine/3zvg) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | Descriptor: | 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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6HOK
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![BU of 6hok by Molmil](/molmil-images/mine/6hok) | Structure of Beclin1 LIR (S96E) motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, Beclin-1,Gamma-aminobutyric acid receptor-associated protein | Authors: | Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T. | Deposit date: | 2018-09-17 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs. Autophagy, 15, 2019
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6HOT
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3ZS0
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![BU of 3zs0 by Molmil](/molmil-images/mine/3zs0) | Human Myeloperoxidase inactivated by TX2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ... | Authors: | Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation. J.Biol.Chem., 286, 2011
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3X2T
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![BU of 3x2t by Molmil](/molmil-images/mine/3x2t) | Crystal Structure of the KIF5C Motor Domain With ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin heavy chain isoform 5C | Authors: | Inoue, S, Nitta, R, Hirokawa, N. | Deposit date: | 2015-01-02 | Release date: | 2015-04-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray and Cryo-EM structures reveal mutual conformational changes of Kinesin and GTP-state microtubules upon binding Embo J., 34, 2015
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