1PDJ
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![BU of 1pdj by Molmil](/molmil-images/mine/1pdj) | Fitting of gp27 into cryoEM reconstruction of bacteriophage T4 baseplate | Descriptor: | Baseplate structural protein Gp27 | Authors: | Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2003-05-19 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Three-dimensional structure of the bacteriophage T4 baseplate Nat.Struct.Biol., 10, 2003
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5K7V
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![BU of 5k7v by Molmil](/molmil-images/mine/5k7v) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein HR00C3 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-05-26 | Release date: | 2017-04-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.165 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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4CQP
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![BU of 4cqp by Molmil](/molmil-images/mine/4cqp) | Crystal Structure of H5 (VN1194) Ser227Asn/Gln196Arg Mutant Haemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-02-21 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins. Virology, 456, 2014
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5GIK
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![BU of 5gik by Molmil](/molmil-images/mine/5gik) | Modulation of the affinity of a HIV-1 capsid-directed ankyrin towards its viral target through critical amino acid editing | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -S45Y, GLYCEROL | Authors: | Chuankhayan, P, Saoin, S, Wisitponchai, T, Intachai, K, Chupradit, K, Moonmuang, S, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Modulation of the affinity of a HIV-1 capsid-directed ankyrintowards its viral target through critical amino acid editing To Be Published
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5TY9
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![BU of 5ty9 by Molmil](/molmil-images/mine/5ty9) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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8DJ2
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![BU of 8dj2 by Molmil](/molmil-images/mine/8dj2) | |
4RA9
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![BU of 4ra9 by Molmil](/molmil-images/mine/4ra9) | Crystal Structure of Conjoint Pyrococcus Furiosus L-asparaginase with Citrate | Descriptor: | CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B. | Deposit date: | 2014-09-09 | Release date: | 2014-12-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains. Acta Crystallogr.,Sect.D, 70, 2014
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6CE9
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![BU of 6ce9 by Molmil](/molmil-images/mine/6ce9) | Insulin Receptor ectodomain in complex with two insulin molecules | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Dandey, V.P, Zhang, Z, Strickland, C, Potter, C.S, Carragher, B. | Deposit date: | 2018-02-11 | Release date: | 2018-03-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure of the insulin receptor-insulin complex by single-particle cryo-EM analysis. Nature, 556, 2018
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4NHH
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![BU of 4nhh by Molmil](/molmil-images/mine/4nhh) | Structure of 2G12 IgG Dimer | Descriptor: | 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein | Authors: | Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J. | Deposit date: | 2013-11-05 | Release date: | 2014-02-26 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12. Cell Rep, 5, 2013
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1IBL
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![BU of 1ibl by Molmil](/molmil-images/mine/1ibl) | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH A MESSENGER RNA FRAGMENT AND COGNATE TRANSFER RNA ANTICODON STEM-LOOP BOUND AT THE A SITE AND WITH THE ANTIBIOTIC PAROMOMYCIN | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V. | Deposit date: | 2001-03-28 | Release date: | 2001-05-04 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Recognition of cognate transfer RNA by the 30S ribosomal subunit. Science, 292, 2001
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4CQU
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![BU of 4cqu by Molmil](/molmil-images/mine/4cqu) | H5 (VN1194) Asn186Lys Mutant Haemagglutinin in Complex with Human Receptor Analogue 6'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-02-21 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins. Virology, 456, 2014
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5K4W
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![BU of 5k4w by Molmil](/molmil-images/mine/5k4w) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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4QUH
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![BU of 4quh by Molmil](/molmil-images/mine/4quh) | Caspase-3 T140G | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ... | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | Deposit date: | 2014-07-10 | Release date: | 2014-11-05 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
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8DQS
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![BU of 8dqs by Molmil](/molmil-images/mine/8dqs) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-07-19 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032 To Be Published
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8E1Q
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![BU of 8e1q by Molmil](/molmil-images/mine/8e1q) | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-08-11 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 To Be Published
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5U4Z
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![BU of 5u4z by Molmil](/molmil-images/mine/5u4z) | Crystal structure of citrus MAF1 in space group P 31 2 1 | Descriptor: | Repressor of RNA polymerase III transcription, SULFATE ION | Authors: | Soprano, A.S, Giuseppe, P.O, Nascimento, A.F.Z, Benedetti, C.E, Murakami, M.T. | Deposit date: | 2016-12-06 | Release date: | 2017-07-19 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of citrus MAF1 in space group P 31 2 1 To Be Published
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6FJM
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![BU of 6fjm by Molmil](/molmil-images/mine/6fjm) | tubulin-Disorazole Z complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ... | Authors: | Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | Deposit date: | 2018-01-22 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin. Nat Commun, 9, 2018
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1XCI
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![BU of 1xci by Molmil](/molmil-images/mine/1xci) | Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*(TTM)P*TP*TP*TP*CP*G)-3' | Authors: | da Silva, M.W, Bierbryer, R.G, Wilds, C.J, Noronha, A.M, Colvin, O.M, Miller, P.S, Gamcsik, M.P. | Deposit date: | 2004-09-02 | Release date: | 2005-08-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Intrastrand base-stacking buttresses widening of major groove in interstrand cross-linked B-DNA. Bioorg.Med.Chem., 13, 2005
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8E21
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![BU of 8e21 by Molmil](/molmil-images/mine/8e21) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034 | Descriptor: | 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-08-12 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034 To Be Published
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5C5G
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![BU of 5c5g by Molmil](/molmil-images/mine/5c5g) | |
8E65
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![BU of 8e65 by Molmil](/molmil-images/mine/8e65) | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor | Descriptor: | (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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4QWW
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![BU of 4qww by Molmil](/molmil-images/mine/4qww) | Crystal structure of the Fab410-BfAChE complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Bourne, Y, Renault, L, Marchot, P. | Deposit date: | 2014-07-17 | Release date: | 2014-11-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Snake Venom Acetylcholinesterase in Complex with Inhibitory Antibody Fragment Fab410 Bound at the Peripheral Site: EVIDENCE FOR OPEN AND CLOSED STATES OF A BACK DOOR CHANNEL. J.Biol.Chem., 290, 2015
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6ETG
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![BU of 6etg by Molmil](/molmil-images/mine/6etg) | Crystal structure of KDM4D with tetrazolhydrazide compound 6 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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4CSY
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![BU of 4csy by Molmil](/molmil-images/mine/4csy) | E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ... | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | Deposit date: | 2014-03-11 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation. J.Mol.Cell.Biol., 8, 2016
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2MSJ
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![BU of 2msj by Molmil](/molmil-images/mine/2msj) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N46S | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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