6UJR
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![BU of 6ujr by Molmil](/molmil-images/mine/6ujr) | P-glycoprotein mutant-F724A and C952A-with BDE100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | Authors: | Aller, S.G, Le, C.A. | Deposit date: | 2019-10-03 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj, 7, 2020
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6DET
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3MZ4
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![BU of 3mz4 by Molmil](/molmil-images/mine/3mz4) | Crystal structure of D101L Mn2+ HDAC8 complexed with M344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, Histone deacetylase 8, ... | Authors: | Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2010-05-11 | Release date: | 2010-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function. Biochemistry, 49, 2010
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6UJW
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![BU of 6ujw by Molmil](/molmil-images/mine/6ujw) | P-glycoprotein mutant-Y306A and C952A-with BDE100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | Authors: | Aller, S.G, Le, C.A. | Deposit date: | 2019-10-03 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.15 Å) | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein. Iucrj, 7, 2020
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6DEW
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![BU of 6dew by Molmil](/molmil-images/mine/6dew) | Structure of human COQ9 protein with bound isoprene. | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, ... | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J. | Deposit date: | 2018-05-13 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis. Mol.Cell, 73, 2019
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6UKU
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![BU of 6uku by Molmil](/molmil-images/mine/6uku) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | Descriptor: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UL0
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![BU of 6ul0 by Molmil](/molmil-images/mine/6ul0) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | Descriptor: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6DIQ
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6DIW
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![BU of 6diw by Molmil](/molmil-images/mine/6diw) | Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71) | Descriptor: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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1MFP
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![BU of 1mfp by Molmil](/molmil-images/mine/1mfp) | E. coli Enoyl Reductase in complex with NAD and SB611113 | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | Deposit date: | 2002-08-13 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK J.MED.CHEM., 46, 2003
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1MHZ
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![BU of 1mhz by Molmil](/molmil-images/mine/1mhz) | METHANE MONOOXYGENASE HYDROXYLASE | Descriptor: | FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE | Authors: | Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1996-10-21 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b Protein Sci., 6, 1997
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3Q3Z
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![BU of 3q3z by Molmil](/molmil-images/mine/3q3z) | Structure of a c-di-GMP-II riboswitch from C. acetobutylicum bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, c-di-GMP-II riboswitch | Authors: | Smith, K.D, Shanahan, C.A, Moore, E.L, Simon, A.C, Strobel, S.A. | Deposit date: | 2010-12-22 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis of differential ligand recognition by two classes of bis-(3'-5')-cyclic dimeric guanosine monophosphate-binding riboswitches. Proc.Natl.Acad.Sci.USA, 108, 2011
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3N4U
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6UKV
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![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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1MBZ
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![BU of 1mbz by Molmil](/molmil-images/mine/1mbz) | BETA-LACTAM SYNTHETASE WITH TRAPPED INTERMEDIATE | Descriptor: | ARGININE-N-METHYLCARBONYL PHOSPHORIC ACID 5'-ADENOSINE ESTER, BETA-LACTAM SYNTHETASE, GLYCEROL, ... | Authors: | Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C. | Deposit date: | 2002-08-04 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots Proc.Natl.Acad.Sci.USA, 99, 2002
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3NI9
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![BU of 3ni9 by Molmil](/molmil-images/mine/3ni9) | GES-2 carbapenemase apo form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2 | Authors: | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | Deposit date: | 2010-06-15 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases. Biochemistry, 54, 2015
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3NJ1
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![BU of 3nj1 by Molmil](/molmil-images/mine/3nj1) | X-ray crystal structure of the PYL2(V114I)-pyrabactin A complex | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, GLYCEROL, ... | Authors: | Peterson, F.C, Burgie, E.S, Bingman, C.A, Volkman, B.F, Phillips Jr, G.N, Cutler, S.R, Jensen, D.R, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-06-16 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Structural basis for selective activation of ABA receptors. Nat.Struct.Mol.Biol., 17, 2010
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1MG7
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![BU of 1mg7 by Molmil](/molmil-images/mine/1mg7) | Crystal Structure of xol-1 | Descriptor: | early switch protein xol-1 2.2k splice form | Authors: | Luz, J.G, Hassig, C.A, Godzik, A, Meyer, B.J, Wilson, I.A. | Deposit date: | 2002-08-14 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | XOL-1, primary determinant of sexual fate in C. elegans, is a GHMP kinase family member and a structural prototype for a class of developmental regulators Genes Dev., 17, 2003
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6DGX
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![BU of 6dgx by Molmil](/molmil-images/mine/6dgx) | Crystal structure of HIV-1 Protease NL4-3 WT 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, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH6
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![BU of 6dh6 by Molmil](/molmil-images/mine/6dh6) | Crystal structure of HIV-1 Protease NL4-3 I50V 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, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DID
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![BU of 6did by Molmil](/molmil-images/mine/6did) | HIV Env BG505 SOSIP with polyclonal Fabs from immunized rabbit #3417 post-boost#1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Turner, H.L, Cottrell, C.A, Oyen, D, Wilson, I.A, Ward, A.B. | Deposit date: | 2018-05-23 | Release date: | 2018-09-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.71 Å) | Cite: | Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization. Immunity, 49, 2018
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6DND
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![BU of 6dnd by Molmil](/molmil-images/mine/6dnd) | Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1) | Descriptor: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | Deposit date: | 2018-06-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors. Biochemistry, 57, 2018
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3NDY
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![BU of 3ndy by Molmil](/molmil-images/mine/3ndy) | |
5I08
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![BU of 5i08 by Molmil](/molmil-images/mine/5i08) | Prefusion structure of a human coronavirus spike protein | Descriptor: | Spike glycoprotein,Foldon chimera | Authors: | Kirchdoerfer, R.N, Cottrell, C.A, Wang, N, Pallesen, J, Yassine, H.M, Turner, H.L, Corbett, K.S, Graham, B.S, McLellan, J.S, Ward, A.B. | Deposit date: | 2016-02-03 | Release date: | 2016-03-02 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Pre-fusion structure of a human coronavirus spike protein. Nature, 531, 2016
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3QXD
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![BU of 3qxd by Molmil](/molmil-images/mine/3qxd) | F54C HLA-DR1 bound with CLIP peptide | Descriptor: | HLA class II histocompatibility antigen gamma chain peptide, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Painter, C.A, Stern, L.J. | Deposit date: | 2011-03-01 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Conformational lability in the class II MHC 310 helix and adjacent extended strand dictate HLA-DM susceptibility and peptide exchange. Proc.Natl.Acad.Sci.USA, 108, 2011
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