4PSG
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4EHG
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![BU of 4ehg by Molmil](/molmil-images/mine/4ehg) | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C. | Deposit date: | 2012-04-02 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
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5WOO
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![BU of 5woo by Molmil](/molmil-images/mine/5woo) | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with Myristic acid (C14:0) to 1.78 Angstrom resolution | Descriptor: | EDD domain protein, DegV family, GLYCEROL, ... | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-08-02 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins. J. Biol. Chem., 294, 2019
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6DO8
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6DOE
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6DOS
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4GYN
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![BU of 4gyn by Molmil](/molmil-images/mine/4gyn) | The E142L mutant of the amidase from Geobacillus pallidus | Descriptor: | Aliphatic amidase, CHLORIDE ION | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | Deposit date: | 2012-09-05 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning. J.Biol.Chem., 288, 2013
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7LM4
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![BU of 7lm4 by Molmil](/molmil-images/mine/7lm4) | The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2021-02-05 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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8R1T
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![BU of 8r1t by Molmil](/molmil-images/mine/8r1t) | Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide | Descriptor: | 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-02 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
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6QL4
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![BU of 6ql4 by Molmil](/molmil-images/mine/6ql4) | Crystal structure of nucleotide-free Mgm1 | Descriptor: | 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O. | Deposit date: | 2019-01-31 | Release date: | 2019-07-03 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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5WUW
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5NT7
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8R1P
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5W8P
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![BU of 5w8p by Molmil](/molmil-images/mine/5w8p) | Homoserine transacetylase MetX from Mycobacterium abscessus | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase, PHOSPHATE ION, ... | Authors: | Rodriguez, E.S, Reed, R.W, Korotkov, K.V. | Deposit date: | 2017-06-22 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site. Sci Rep, 9, 2019
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8R1N
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4QVL
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![BU of 4qvl by Molmil](/molmil-images/mine/4qvl) | yCP in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-15 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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8R4B
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4QWL
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![BU of 4qwl by Molmil](/molmil-images/mine/4qwl) | yCP beta5-A50V mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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6PWX
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![BU of 6pwx by Molmil](/molmil-images/mine/6pwx) | Cryo-EM structure of RbBP5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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4QY2
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![BU of 4qy2 by Molmil](/molmil-images/mine/4qy2) | Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | Deposit date: | 2014-07-23 | Release date: | 2015-01-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus Nat Commun, 6, 2015
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8DM9
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![BU of 8dm9 by Molmil](/molmil-images/mine/8dm9) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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4QZ7
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![BU of 4qz7 by Molmil](/molmil-images/mine/4qz7) | yCP beta5-A50V mutant in complex with the epoxyketone inhibitor ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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8R18
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![BU of 8r18 by Molmil](/molmil-images/mine/8r18) | Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide | Descriptor: | (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2023-11-01 | Release date: | 2024-03-20 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors. Arch Pharm, 357, 2024
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8R10
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5K85
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![BU of 5k85 by Molmil](/molmil-images/mine/5k85) | Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W, SSGCID | Deposit date: | 2016-05-27 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A FROM CRYPTOCOCCUS NEOFORMANS H99 To Be Published
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