3A4P
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![BU of 3a4p by Molmil](/molmil-images/mine/3a4p) | human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor | Descriptor: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ... | Authors: | Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T. | Deposit date: | 2009-07-13 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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7B2L
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![BU of 7b2l by Molmil](/molmil-images/mine/7b2l) | Structure of the endocytic adaptor complex AENTH | Descriptor: | ANTH domain of Sla2, ENTH domain of epsin Ent1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Klebl, D.P, Lizarrondo, J, Sobott, F, Garcia-Alai, M, Muench, S.P. | Deposit date: | 2020-11-27 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the endocytic adaptor complex reveals the basis for efficient membrane anchoring during clathrin-mediated endocytosis. Nat Commun, 12, 2021
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7T60
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![BU of 7t60 by Molmil](/molmil-images/mine/7t60) | P. aeruginosa LpxA in complex with ligand L13 | Descriptor: | (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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5KNE
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![BU of 5kne by Molmil](/molmil-images/mine/5kne) | CryoEM Reconstruction of Hsp104 Hexamer | Descriptor: | Heat shock protein 104, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yokom, A.L, Gates, S.N, Jackrel, M.E, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2016-06-28 | Release date: | 2016-07-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (5.64 Å) | Cite: | Spiral architecture of the Hsp104 disaggregase reveals the basis for polypeptide translocation. Nat.Struct.Mol.Biol., 23, 2016
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2Y37
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![BU of 2y37 by Molmil](/molmil-images/mine/2y37) | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | Descriptor: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | Deposit date: | 2010-12-19 | Release date: | 2011-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
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7T61
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![BU of 7t61 by Molmil](/molmil-images/mine/7t61) | P. aeruginosa LpxA in complex with ligand L15 | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7Q5Q
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![BU of 7q5q by Molmil](/molmil-images/mine/7q5q) | Protein community member oxoglutarate dehydrogenase complex E2 core from C. thermophilum | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase | Authors: | Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.38 Å) | Cite: | Cryo-EM and artificial intelligence visualize endogenous protein community members. Structure, 30, 2022
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5KOZ
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![BU of 5koz by Molmil](/molmil-images/mine/5koz) | Structure function studies of R. palustris RubisCO (K192C mutant; CABP-bound) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Arbing, M.A, North, J.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2016-07-01 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure function studies of R. palustris RubisCO. To Be Published
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7L5W
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![BU of 7l5w by Molmil](/molmil-images/mine/7l5w) | p97-R155H mutant dodecamer I | Descriptor: | Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021
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7Q5S
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![BU of 7q5s by Molmil](/molmil-images/mine/7q5s) | Protein community member fatty acid synthase complex from C. thermophilum | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | Cryo-EM and artificial intelligence visualize endogenous protein community members. Structure, 30, 2022
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7ASW
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![BU of 7asw by Molmil](/molmil-images/mine/7asw) | Crystal structure of chloroplastic thioredoxin z defines a novel type-specific target recognition | Descriptor: | Thioredoxin-related protein CITRX | Authors: | Le Moigne, T, Gurrieri, L, Crozet, P, Marchand, C.H, Zaffagnini, M, Sparla, F, Lemaire, S.D, Henri, J. | Deposit date: | 2020-10-28 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Crystal structure of chloroplastic thioredoxin z defines a type-specific target recognition. Plant J., 107, 2021
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2XDU
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![BU of 2xdu by Molmil](/molmil-images/mine/2xdu) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-05-07 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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5L0E
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![BU of 5l0e by Molmil](/molmil-images/mine/5l0e) | Crystal Structure of Autotaxin and Compound 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ... | Authors: | Durbin, J.D. | Deposit date: | 2016-07-27 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett., 7, 2016
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7SVN
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![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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2XJW
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![BU of 2xjw by Molmil](/molmil-images/mine/2xjw) | Lysozyme-CO releasing molecule adduct | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ... | Authors: | Santos-Silva, T, Mukhopadhyay, A, Romao, M.J. | Deposit date: | 2010-07-06 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Corm-3 Reactivity Toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl-Lysozyme Complex. J.Am.Chem.Soc., 133, 2011
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3IY7
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![BU of 3iy7 by Molmil](/molmil-images/mine/3iy7) | Variable domains of the computer generated model (WAM) of Fab F fitted into the cryoEM reconstruction of the virus-Fab F complex | Descriptor: | fragment from neutralizing antibody F (heavy chain), fragment from neutralizing antibody F (light chain) | Authors: | Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G. | Deposit date: | 2009-04-09 | Release date: | 2009-05-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | Structural comparison of different antibodies interacting with parvovirus capsids J.Virol., 83, 2009
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2ILL
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![BU of 2ill by Molmil](/molmil-images/mine/2ill) | Anomalous substructure of Titin-A168169 | Descriptor: | CHLORIDE ION, Titin | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-10-03 | Release date: | 2007-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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3IK9
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![BU of 3ik9 by Molmil](/molmil-images/mine/3ik9) | Human GST A1-1-GIMF with GSDHN | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2009-08-05 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
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7SVM
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![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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2XGF
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![BU of 2xgf by Molmil](/molmil-images/mine/2xgf) | Structure of the bacteriophage T4 long tail fibre needle-shaped receptor-binding tip | Descriptor: | CARBONATE ION, FE (II) ION, LONG TAIL FIBER PROTEIN P37 | Authors: | Bartual, S.G, Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Kahn, R, Fox, G.C, van Raaij, M.J. | Deposit date: | 2010-06-03 | Release date: | 2010-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the bacteriophage T4 long tail fiber receptor-binding tip. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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5L32
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![BU of 5l32 by Molmil](/molmil-images/mine/5l32) | |
7L5X
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![BU of 7l5x by Molmil](/molmil-images/mine/7l5x) | p97-R155H mutant dodecamer II | Descriptor: | Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021
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3I6W
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![BU of 3i6w by Molmil](/molmil-images/mine/3i6w) | |
7SVO
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![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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8PNW
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![BU of 8pnw by Molmil](/molmil-images/mine/8pnw) | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in holo form with PLP | Descriptor: | Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | Deposit date: | 2023-07-03 | Release date: | 2023-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Expanded Substrate Specificity in D-Amino Acid Transaminases: A Case Study of Transaminase from Blastococcus saxobsidens. Int J Mol Sci, 24, 2023
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