4MHE
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![BU of 4mhe by Molmil](/molmil-images/mine/4mhe) | Crystal structure of CC-chemokine 18 | Descriptor: | ACETATE ION, C-C motif chemokine 18 | Authors: | Liang, W.G, Tang, W.-J. | Deposit date: | 2013-08-29 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme. J.Mol.Biol., 427, 2015
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8IHS
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![BU of 8ihs by Molmil](/molmil-images/mine/8ihs) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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4QUY
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![BU of 4quy by Molmil](/molmil-images/mine/4quy) | yCP beta5-A49S-mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-14 | 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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3S73
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![BU of 3s73 by Molmil](/molmil-images/mine/3s73) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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4QW3
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![BU of 4qw3 by Molmil](/molmil-images/mine/4qw3) | yCP beta5-C63F mutant 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: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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5QPS
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![BU of 5qps by Molmil](/molmil-images/mine/5qps) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000644a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5ZAP
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![BU of 5zap by Molmil](/molmil-images/mine/5zap) | Atomic structure of the herpes simplex virus type 2 B-capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-02-08 | Release date: | 2018-04-18 | Last modified: | 2018-09-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom. Science, 360, 2018
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8IHR
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![BU of 8ihr by Molmil](/molmil-images/mine/8ihr) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | Descriptor: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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5QQ3
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![BU of 5qq3 by Molmil](/molmil-images/mine/5qq3) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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8EC0
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![BU of 8ec0 by Molmil](/molmil-images/mine/8ec0) | III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ... | Authors: | Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W. | Deposit date: | 2022-08-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex. Nat Commun, 14, 2023
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5QQA
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![BU of 5qqa by Molmil](/molmil-images/mine/5qqa) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000648a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPK
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![BU of 5qpk by Molmil](/molmil-images/mine/5qpk) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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8IHQ
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![BU of 8ihq by Molmil](/molmil-images/mine/8ihq) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | Descriptor: | Amidohydrolase family protein, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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4HGU
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![BU of 4hgu by Molmil](/molmil-images/mine/4hgu) | Crystal Structure of Galleria mellonella Silk Protease Inhibitor 2 | Descriptor: | SODIUM ION, Silk protease inhibitor 2 | Authors: | Krzywda, S, Jaskolski, M, Dvornyk, A, Kludkiewicz, B, Grzelak, K, Zagorski, W, Bal, W, Kopera, E. | Deposit date: | 2012-10-08 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic resolution structure of a protein prepared by non-enzymatic His-tag removal. Crystallographic and NMR study of GmSPI-2 inhibitor. Plos One, 9, 2014
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5QQC
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![BU of 5qqc by Molmil](/molmil-images/mine/5qqc) | Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n) | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-14 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library To Be Published
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4QZ3
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![BU of 4qz3 by Molmil](/molmil-images/mine/4qz3) | yCP beta5-A49V mutant in complex with the epoxyketone inhibitor ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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8ILA
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![BU of 8ila by Molmil](/molmil-images/mine/8ila) | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates | Descriptor: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase | Authors: | Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W. | Deposit date: | 2023-03-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis. Acs Chem.Biol., 18, 2023
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4QZ4
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![BU of 4qz4 by Molmil](/molmil-images/mine/4qz4) | yCP beta5-A49S 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 (3 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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5YZE
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![BU of 5yze by Molmil](/molmil-images/mine/5yze) | Crystal structure of the [Co2+-(chromomycin A3)2]-d(CCG)3 complex | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | Authors: | Hou, M.H, Chen, Y.W, Wu, P.C, Satange, R.B. | Deposit date: | 2017-12-14 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | CoII(Chromomycin)2 Complex Induces a Conformational Change of CCG Repeats from i-Motif to Base-Extruded DNA Duplex Int J Mol Sci, 19, 2018
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4I9N
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![BU of 4i9n by Molmil](/molmil-images/mine/4i9n) | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4E5O
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![BU of 4e5o by Molmil](/molmil-images/mine/4e5o) | Crystal structure of mouse thymidylate synthase in complex with dUMP | Descriptor: | 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | Deposit date: | 2012-03-14 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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6EPD
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![BU of 6epd by Molmil](/molmil-images/mine/6epd) | Substrate processing state 26S proteasome (SPS1) | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 13, ... | Authors: | Guo, Q, Lehmer, C, Martinez-Sanchez, A, Rudack, T, Beck, F, Hartmann, H, Hipp, M.S, Hartl, F.U, Edbauer, D, Baumeister, W, Fernandez-Busnadiego, R. | Deposit date: | 2017-10-11 | Release date: | 2018-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (15.4 Å) | Cite: | In Situ Structure of Neuronal C9orf72 Poly-GA Aggregates Reveals Proteasome Recruitment. Cell, 172, 2018
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4M7Y
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![BU of 4m7y by Molmil](/molmil-images/mine/4m7y) | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | Authors: | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infect Dis, 2, 2016
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5K9P
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![BU of 5k9p by Molmil](/molmil-images/mine/5k9p) | Ser20 phosphorylated ubiquitin | Descriptor: | Polyubiquitin-B | Authors: | Huguenin-Dezot, N, Chin, J.W. | Deposit date: | 2016-06-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis of Isomeric Phosphoubiquitin Chains Reveals that Phosphorylation Controls Deubiquitinase Activity and Specificity. Cell Rep, 16, 2016
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4I6W
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![BU of 4i6w by Molmil](/molmil-images/mine/4i6w) | 3-hydroxy-3-methylglutaryl (HMG) Coenzyme-A reductase complexed with thiomevalonate | Descriptor: | (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | Deposit date: | 2012-11-30 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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