5H3X
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3TI6
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![BU of 3ti6 by Molmil](/molmil-images/mine/3ti6) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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2B4V
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![BU of 2b4v by Molmil](/molmil-images/mine/2b4v) | Structural Basis for UTP Specificity of RNA Editing TUTases From Trypanosoma Brucei | Descriptor: | POTASSIUM ION, RNA editing complex protein MP57 | Authors: | Deng, J, Ernst, N.L, Turley, S, Stuart, K.D, Hol, W.G. | Deposit date: | 2005-09-26 | Release date: | 2005-11-22 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei. Embo J., 24, 2005
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2B56
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![BU of 2b56 by Molmil](/molmil-images/mine/2b56) | Structural Basis for UTP Specificity of RNA Editing TUTases From Trypanosoma Brucei | Descriptor: | MAGNESIUM ION, RNA editing complex protein MP57, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Deng, J, Ernst, N.L, Turley, S, Stuart, K.D, Hol, W.G. | Deposit date: | 2005-09-27 | Release date: | 2005-11-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for UTP specificity of RNA editing TUTases from Trypanosoma brucei. Embo J., 24, 2005
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7MY6
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![BU of 7my6 by Molmil](/molmil-images/mine/7my6) | Se-CrtE C-term His-tag with IPP added | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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3TIB
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![BU of 3tib by Molmil](/molmil-images/mine/3tib) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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1ZNT
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![BU of 1znt by Molmil](/molmil-images/mine/1znt) | 18 NMR structures of AcAMP2-Like Peptide with non Natural Fluoroaromatic Residue (AcAMP2F18Pff/Y20Pff) complex with N,N,N-triacetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Aboitiz, N, Freire, F, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | Deposit date: | 2005-05-12 | Release date: | 2005-12-06 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues Chemistry, 11, 2005
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7NM2
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![BU of 7nm2 by Molmil](/molmil-images/mine/7nm2) | Solution structure of MLKL executioner domain in complex with a fragment | Descriptor: | 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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7NM5
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![BU of 7nm5 by Molmil](/molmil-images/mine/7nm5) | Solution structure of MLKL executioner domain in complex with a fragment | Descriptor: | 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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3TI3
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![BU of 3ti3 by Molmil](/molmil-images/mine/3ti3) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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7NM4
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![BU of 7nm4 by Molmil](/molmil-images/mine/7nm4) | Solution structure of MLKL executioner domain in complex with a fragment | Descriptor: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J.Med.Chem., 64, 2021
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5APD
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![BU of 5apd by Molmil](/molmil-images/mine/5apd) | Hen Egg White Lysozyme not illuminated with 0.4THz radiation | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | Deposit date: | 2015-09-15 | Release date: | 2016-01-13 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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5IR6
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![BU of 5ir6 by Molmil](/molmil-images/mine/5ir6) | The structure of bd oxidase from Geobacillus thermodenitrificans | Descriptor: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | Authors: | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | Deposit date: | 2016-03-12 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases. Science, 352, 2016
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5WWU
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![BU of 5wwu by Molmil](/molmil-images/mine/5wwu) | Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-05 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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5A0E
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![BU of 5a0e by Molmil](/molmil-images/mine/5a0e) | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | Deposit date: | 2015-04-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
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4BZC
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![BU of 4bzc by Molmil](/molmil-images/mine/4bzc) | Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ... | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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3TYY
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![BU of 3tyy by Molmil](/molmil-images/mine/3tyy) | Crystal Structure of Human Lamin-B1 Coil 2 Segment | Descriptor: | Lamin-B1 | Authors: | Lam, R, Xu, C, Bian, C.B, Mackenzie, F, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-26 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Crystal structures of the coil 2B fragment and the globular tail domain of human lamin B1. Febs Lett., 586, 2012
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6BPP
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![BU of 6bpp by Molmil](/molmil-images/mine/6bpp) | E. coli MsbA in complex with LPS and inhibitor G092 | Descriptor: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | Authors: | Ho, H, Koth, C.M, Payandeh, J. | Deposit date: | 2017-11-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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5A8Y
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![BU of 5a8y by Molmil](/molmil-images/mine/5a8y) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
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2ED6
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![BU of 2ed6 by Molmil](/molmil-images/mine/2ed6) | |
2QCY
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![BU of 2qcy by Molmil](/molmil-images/mine/2qcy) | |
2QHC
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![BU of 2qhc by Molmil](/molmil-images/mine/2qhc) | The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir | Descriptor: | BETA-MERCAPTOETHANOL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | Authors: | Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J. | Deposit date: | 2007-07-02 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir. Protein Sci., 17, 2008
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4HEJ
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![BU of 4hej by Molmil](/molmil-images/mine/4hej) | Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16 | Descriptor: | 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase | Authors: | Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J. | Deposit date: | 2012-10-03 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55, 2012
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6BVL
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![BU of 6bvl by Molmil](/molmil-images/mine/6bvl) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRAS, ... | Authors: | Phan, J, Abbott, J, Fesik, S.W. | Deposit date: | 2017-12-13 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J. Med. Chem., 61, 2018
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2AZX
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![BU of 2azx by Molmil](/molmil-images/mine/2azx) | Charged and uncharged tRNAs adopt distinct conformations when complexed with human tryptophanyl-tRNA synthetase | Descriptor: | 72-MER, GLYCEROL, MAGNESIUM ION, ... | Authors: | Yang, X.L, Otero, F.J, Ewalt, K.L, Liu, J, Swairjo, M.A, Kohrer, C, RajBhandary, U.L, Skene, R.J, McRee, D.E, Schimmel, P. | Deposit date: | 2005-09-12 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. Embo J., 25, 2006
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