4XNI
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![BU of 4xni by Molmil](/molmil-images/mine/4xni) | X-ray structure of PepTst1 | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-15 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4XNK
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![BU of 4xnk by Molmil](/molmil-images/mine/4xnk) | X-ray structure of AlgE1 | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alginate production protein AlgE, ... | Authors: | Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-15 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4WN1
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![BU of 4wn1 by Molmil](/molmil-images/mine/4wn1) | Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one | Descriptor: | 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Amano, Y, Honbou, K. | Deposit date: | 2014-10-10 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition. Bioorg.Med.Chem., 23, 2015
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4XJB
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![BU of 4xjb by Molmil](/molmil-images/mine/4xjb) | X-ray structure of Lysozyme1 | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-08 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4XJG
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![BU of 4xjg by Molmil](/molmil-images/mine/4xjg) | X-ray structure of Lysozyme B2 | Descriptor: | BROMIDE ION, Lysozyme C, SODIUM ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-08 | Release date: | 2015-06-03 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4XJI
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![BU of 4xji by Molmil](/molmil-images/mine/4xji) | X-ray structure of LysozymeS2 | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-08 | Release date: | 2015-06-03 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4XJD
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![BU of 4xjd by Molmil](/molmil-images/mine/4xjd) | X-ray structure of Lysozyme2 | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-08 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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4XJH
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![BU of 4xjh by Molmil](/molmil-images/mine/4xjh) | X-ray structure of LysozymeS1 | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-01-08 | Release date: | 2015-06-03 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins. Acta Crystallogr.,Sect.D, 71, 2015
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9BFT
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![BU of 9bft by Molmil](/molmil-images/mine/9bft) | Cryo-EM co-structure of AcrB with CU244 | Descriptor: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8TWR
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![BU of 8twr by Molmil](/molmil-images/mine/8twr) | Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, P283S, R416A | Descriptor: | Nucleoprotein, SODIUM ION | Authors: | Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D. | Deposit date: | 2023-08-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure. Sci Adv, 10, 2024
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8TWP
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![BU of 8twp by Molmil](/molmil-images/mine/8twp) | Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, R416A | Descriptor: | Nucleoprotein | Authors: | Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D. | Deposit date: | 2023-08-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure. Sci Adv, 10, 2024
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9BFN
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![BU of 9bfn by Molmil](/molmil-images/mine/9bfn) | Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor | Descriptor: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8VLS
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![BU of 8vls by Molmil](/molmil-images/mine/8vls) | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-12 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WZU
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![BU of 8wzu by Molmil](/molmil-images/mine/8wzu) | |
8VOV
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![BU of 8vov by Molmil](/molmil-images/mine/8vov) | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-16 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKU
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![BU of 8vku by Molmil](/molmil-images/mine/8vku) | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-09 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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9EM1
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![BU of 9em1 by Molmil](/molmil-images/mine/9em1) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-07 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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9BFH
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![BU of 9bfh by Molmil](/molmil-images/mine/9bfh) | Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor | Descriptor: | (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-17 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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9BFM
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![BU of 9bfm by Molmil](/molmil-images/mine/9bfm) | Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor | Descriptor: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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1TMO
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![BU of 1tmo by Molmil](/molmil-images/mine/1tmo) | TRIMETHYLAMINE N-OXIDE REDUCTASE FROM SHEWANELLA MASSILIA | Descriptor: | GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER, MOLYBDENUM (IV)OXIDE, TRIMETHYLAMINE N-OXIDE REDUCTASE | Authors: | Czjzek, M, Dos Santos, J.P, Giordano, G, Mejean, V. | Deposit date: | 1998-08-03 | Release date: | 1999-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of oxidized trimethylamine N-oxide reductase from Shewanella massilia at 2.5 A resolution. J.Mol.Biol., 284, 1998
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7WNW
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![BU of 7wnw by Molmil](/molmil-images/mine/7wnw) | |
7WNN
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![BU of 7wnn by Molmil](/molmil-images/mine/7wnn) | |
7W5C
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![BU of 7w5c by Molmil](/molmil-images/mine/7w5c) | Crystal structure of Mitogen Activated Protein Kinase 4 (MPK4) from Arabidopsis thaliana | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 4, Mitogen-activated protein kinase kinase 1, ... | Authors: | Arold, S.T, Hameed, U.F.S. | Deposit date: | 2021-11-30 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Essential role of the CD docking motif of MPK4 in plant immunity, growth, and development. New Phytol., 239, 2023
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8P8E
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7Z2I
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![BU of 7z2i by Molmil](/molmil-images/mine/7z2i) | TRYPSIN (BOVINE) COMPLEXED WITH compound 4 | Descriptor: | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiering, N, Dalvit, C, Vulpetti, A. | Deposit date: | 2022-02-27 | Release date: | 2022-05-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
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