6OOM
 
 | | PROTEIN A | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M. | | Deposit date: | 2019-04-23 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of an engineered multidrug transporter MdfA reveals the molecular basis for substrate recognition.
Commun Biol, 2, 2019
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8PCZ
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, dimer | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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6U49
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-23 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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6UKJ
 | | Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ... | | Authors: | Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F. | | Deposit date: | 2019-10-05 | | Release date: | 2019-12-04 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
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6M5Z
 | | Catalytic domain of GH30 xylanase C from Talaromyces cellulolyticus | | Descriptor: | ACETATE ION, GH30 Xylanase C, GLYCEROL, ... | | Authors: | Nakamichi, Y, Watanabe, M, Inoue, H. | | Deposit date: | 2020-03-12 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of GH30-7 endoxylanase C from the filamentous fungus Talaromyces cellulolyticus.
Acta Crystallogr.,Sect.F, 76, 2020
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1WEU
 | | Solution structure of PHD domain in ING1-like protein BAC25009 | | Descriptor: | ZINC ION, inhibitor of growth family, member 4 | | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-25 | | Release date: | 2004-11-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of PHD domain in ING1-like protein BAC25009
To be Published
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4KE6
 | | Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol | | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | | Deposit date: | 2013-04-25 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
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7SFH
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML102 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-03 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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6OPU
 | | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6OPY
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6U5J
 | | CryoEM Structure of Pyocin R2 - postcontracted - collar | | Descriptor: | Collar PA0615, Sheath PA0622 | | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
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7SGH
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N | | Descriptor: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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6M8H
 | | Crystal Structure of the R208Q mutant of G(i) subunit alpha-1 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D. | | Deposit date: | 2018-08-21 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
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4P0M
 | | Crystal structure of an evolved putative penicillin-binding protein homolog, Rv2911, from Mycobacterium tuberculosis | | Descriptor: | D-alanyl-D-alanine carboxypeptidase | | Authors: | Krieger, I, Yu, M, Bursey, E, Hung, L.-W, Terwilliger, T.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subfamily-Specific Adaptations in the Structures of Two Penicillin-Binding Proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
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6OAJ
 | | HUaE34K 19bp SYM DNA | | Descriptor: | DNA (5'-D(P*CP*GP*GP*TP*TP*CP*AP*AP*TP*TP*GP*GP*CP*AP*CP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*GP*TP*GP*CP*CP*AP*AP*TP*TP*GP*AP*AP*CP*CP*GP*C)-3'), DNA-binding protein HU-alpha | | Authors: | Remesh, S.G, Hammel, M. | | Deposit date: | 2019-03-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.092 Å) | | Cite: | Nucleoid remodeling during environmental adaptation is regulated by HU-dependent DNA bundling.
Nat Commun, 11, 2020
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6I92
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4K7D
 | | Crystal Structure of Parkin C-terminal RING domains | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, MALONATE ION, ... | | Authors: | Sauve, V, Trempe, J.-F, Menade, M, Gehring, K. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of parkin reveals mechanisms for ubiquitin ligase activation.
Science, 340, 2013
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6M4P
 | | Cytochrome P450 monooxygenase StvP2 substrate-bound structure | | Descriptor: | 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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124D
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1J11
 | | beta-amylase from Bacillus cereus var. mycoides in complex with alpha-EPG | | Descriptor: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, Beta-amylase, CALCIUM ION | | Authors: | Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y. | | Deposit date: | 2002-11-25 | | Release date: | 2003-06-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
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6M9I
 | | L-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | | Descriptor: | Ice nucleation protein | | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
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6I49
 | | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide | | Descriptor: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6M5B
 | | X-ray crystal structure of cyclic-PIP and DNA complex in a reverse binding orientation | | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide, DNA (5'-D(*CP*(CBR)P*AP*GP*GP*CP*CP*TP*GP*G)-3'), ... | | Authors: | Abe, K, Hirose, Y, Eki, H, Takeda, K, Bando, T, Endo, M, Sugiyama, H. | | Deposit date: | 2020-03-10 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | X-ray Crystal Structure of a Cyclic-PIP-DNA Complex in the Reverse-Binding Orientation.
J.Am.Chem.Soc., 142, 2020
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8OXA
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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6M5G
 | | F-actin-Utrophin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Kumari, A, Ragunath, V.K, Sirajuddin, M. | | Deposit date: | 2020-03-10 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into actin filament recognition by commonly used cellular actin markers.
Embo J., 39, 2020
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