6RGS
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6TH0
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![BU of 6th0 by Molmil](/molmil-images/mine/6th0) | Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
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6TI2
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4JFV
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![BU of 4jfv by Molmil](/molmil-images/mine/4jfv) | Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | Descriptor: | (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2013-02-28 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies. Chemistry, 19, 2013
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6RX3
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![BU of 6rx3 by Molmil](/molmil-images/mine/6rx3) | Crystal structure of human syncytin 2 in post-fusion conformation | Descriptor: | CHLORIDE ION, Syncytin-2 | Authors: | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | Deposit date: | 2019-06-07 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications. J.Mol.Biol., 431, 2019
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6EPK
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![BU of 6epk by Molmil](/molmil-images/mine/6epk) | CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | Authors: | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | Deposit date: | 2017-10-11 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex Mbio, 2023
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6SCP
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6SAT
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3QQU
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![BU of 3qqu by Molmil](/molmil-images/mine/3qqu) | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | Descriptor: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | Authors: | Huang, X. | Deposit date: | 2011-02-16 | Release date: | 2011-04-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4LX2
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![BU of 4lx2 by Molmil](/molmil-images/mine/4lx2) | Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LX0
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![BU of 4lx0 by Molmil](/molmil-images/mine/4lx0) | Crystal structure of Myo5b globular tail domain in complex with active Rab11a | Descriptor: | BERYLLIUM TRIFLUORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LX1
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![BU of 4lx1 by Molmil](/molmil-images/mine/4lx1) | Crystal structure of Myo5a globular tail domain | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Pylypenko, O, Attanda, W, Coulibaly, D, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4XLL
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6K9R
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![BU of 6k9r by Molmil](/molmil-images/mine/6k9r) | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-06-17 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
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6GZP
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![BU of 6gzp by Molmil](/molmil-images/mine/6gzp) | Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device | Descriptor: | Nanobody | Authors: | Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A. | Deposit date: | 2018-07-04 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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5EBJ
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![BU of 5ebj by Molmil](/molmil-images/mine/5ebj) | Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail | Descriptor: | photoswitching chromogenic protein | Authors: | Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M. | Deposit date: | 2015-10-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | Cite: | Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail. J.Mol.Biol., 428, 2016
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6BBS
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![BU of 6bbs by Molmil](/molmil-images/mine/6bbs) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | Deposit date: | 2017-10-19 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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2VS2
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![BU of 2vs2 by Molmil](/molmil-images/mine/2vs2) | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-17 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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6HW1
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![BU of 6hw1 by Molmil](/molmil-images/mine/6hw1) | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | Deposit date: | 2018-10-11 | Release date: | 2018-10-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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6BCC
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![BU of 6bcc by Molmil](/molmil-images/mine/6bcc) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BC9
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![BU of 6bc9 by Molmil](/molmil-images/mine/6bc9) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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2QU6
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![BU of 2qu6 by Molmil](/molmil-images/mine/2qu6) | Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor | Descriptor: | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2007-08-03 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
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2QU5
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![BU of 2qu5 by Molmil](/molmil-images/mine/2qu5) | Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor | Descriptor: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2007-08-03 | Release date: | 2007-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem., 50, 2007
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7LB7
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![BU of 7lb7 by Molmil](/molmil-images/mine/7lb7) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Kneller, D.W, Coates, L. | Deposit date: | 2021-01-07 | Release date: | 2021-01-20 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography. J.Med.Chem., 64, 2021
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2YK0
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![BU of 2yk0 by Molmil](/molmil-images/mine/2yk0) | Structure of the N-terminal NTS-DBL1-alpha and CIDR-gamma double domain of the PfEMP1 protein from Plasmodium falciparum varO strain. | Descriptor: | ERYTHROCYTE MEMBRANE PROTEIN 1, MAGNESIUM ION, SULFATE ION | Authors: | Lewit-Bentley, A, Juillerat, A, Vigan-Womas, I, Guillotte, M, Hessel, A, Raynal, B, Mercereau-Puijalon, O, Bentley, G.A. | Deposit date: | 2011-05-25 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Abo Blood-Group Dependence of Plasmodium Falciparum Rosetting. Plos Pathog., 8, 2012
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