4Z4Y
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![BU of 4z4y by Molmil](/molmil-images/mine/4z4y) | Crystal structure of GII.10 P domain in complex with 7.5mM B antigen (trisaccharide) | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | Authors: | Leuthold, M.M, Koromyslova, A.D, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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5K76
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![BU of 5k76 by Molmil](/molmil-images/mine/5k76) | IRAK4 in complex with Compound 28 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K7I
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![BU of 5k7i by Molmil](/molmil-images/mine/5k7i) | IRAK4 in complex with AZ3864 | Descriptor: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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4Z4S
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![BU of 4z4s by Molmil](/molmil-images/mine/4z4s) | Crystal structure of GII.10 P domain in complex with 150mM fucose | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ... | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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4Z4V
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![BU of 4z4v by Molmil](/molmil-images/mine/4z4v) | Crystal structure of GII.10 P domain in complex with 19mM fucose | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ... | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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4Z4W
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![BU of 4z4w by Molmil](/molmil-images/mine/4z4w) | Crystal structure of GII.10 P domain in complex with 4.7mM fucose | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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5K1B
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![BU of 5k1b by Molmil](/molmil-images/mine/5k1b) | |
5K75
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![BU of 5k75 by Molmil](/molmil-images/mine/5k75) | IRAK4 in complex with Compound 1 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5KDO
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![BU of 5kdo by Molmil](/molmil-images/mine/5kdo) | Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ... | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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4Z4R
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![BU of 4z4r by Molmil](/molmil-images/mine/4z4r) | Crystal structure of GII.10 P domain in complex with 300mM fucose | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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5KDL
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![BU of 5kdl by Molmil](/molmil-images/mine/5kdl) | Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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5KGE
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![BU of 5kge by Molmil](/molmil-images/mine/5kge) | |
5KGD
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![BU of 5kgd by Molmil](/molmil-images/mine/5kgd) | |
4Z4T
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![BU of 4z4t by Molmil](/molmil-images/mine/4z4t) | Crystal structure of GII.10 P domain in complex with 75mM fucose | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ... | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | Deposit date: | 2015-04-02 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid. Virology, 483, 2015
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5KGI
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![BU of 5kgi by Molmil](/molmil-images/mine/5kgi) | |
5KWH
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![BU of 5kwh by Molmil](/molmil-images/mine/5kwh) | Crystal structure of CK2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of CK2 To Be Published
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4ZRO
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![BU of 4zro by Molmil](/molmil-images/mine/4zro) | 2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor | Descriptor: | 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE | Authors: | St John, S.E, Mesecar, A.D. | Deposit date: | 2015-05-12 | Release date: | 2015-10-14 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.0566 Å) | Cite: | X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design. Bioorg.Med.Chem.Lett., 25, 2015
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5KU8
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![BU of 5ku8 by Molmil](/molmil-images/mine/5ku8) | Crystal structure of CK2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D, Dowling, J. | Deposit date: | 2016-07-13 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of CK2 Not Published
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5KO3
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![BU of 5ko3 by Molmil](/molmil-images/mine/5ko3) | |
5A8G
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![BU of 5a8g by Molmil](/molmil-images/mine/5a8g) | Crystal structure of the wild-type Staphylococcus aureus N- acetylneurminic acid lyase in complex with fluoropyruvate | Descriptor: | N-ACETYLNEURAMINATE LYASE | Authors: | Stockwell, J, Daniels, A.D, Windle, C.L, Harman, T, Woodhall, T, Trinh, C.H, Lebel, T, Pearson, A.R, Mulholland, K, Berry, A, Nelson, A. | Deposit date: | 2015-07-15 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Evaluation of Fluoropyruvate as Nucleophile in Reactions Catalysed by N-Acetyl Neuraminic Acid Lyase Variants: Scope, Limitations and Stereoselectivity. Org.Biomol.Chem., 14, 2016
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5AKD
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![BU of 5akd by Molmil](/molmil-images/mine/5akd) | MutS in complex with the N-terminal domain of MutL - crystal form 3 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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7JTJ
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![BU of 7jtj by Molmil](/molmil-images/mine/7jtj) | |
5AKC
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![BU of 5akc by Molmil](/molmil-images/mine/5akc) | MutS in complex with the N-terminal domain of MutL - crystal form 2 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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5AKB
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![BU of 5akb by Molmil](/molmil-images/mine/5akb) | MutS in complex with the N-terminal domain of MutL - crystal form 1 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.71 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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4YFK
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![BU of 4yfk by Molmil](/molmil-images/mine/4yfk) | Escherichia coli RNA polymerase in complex with squaramide compound 8. | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.571 Å) | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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