8B90
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![BU of 8b90 by Molmil](/molmil-images/mine/8b90) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) | Descriptor: | 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B8W
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![BU of 8b8w by Molmil](/molmil-images/mine/8b8w) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) | Descriptor: | 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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1K0J
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![BU of 1k0j by Molmil](/molmil-images/mine/1k0j) | Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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8B91
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![BU of 8b91 by Molmil](/molmil-images/mine/8b91) | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) | Descriptor: | Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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7RSO
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![BU of 7rso by Molmil](/molmil-images/mine/7rso) | AMC016 SOSIP.v4.2 in complex with PGV04 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC016 gp120, ... | Authors: | Bader, D.L.V, Cottrell, C.A, Ward, A.B. | Deposit date: | 2021-08-11 | Release date: | 2021-09-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization. J.Virol., 96, 2022
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7Y78
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![BU of 7y78 by Molmil](/molmil-images/mine/7y78) | Crystal structure of Cry78Aa | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, Toxin | Authors: | Cao, B.B, Nie, Y.F, Wang, N.C, Guan, Z.Y, Zhang, D.L, Zhang, J. | Deposit date: | 2022-06-21 | Release date: | 2022-08-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of Cry78Aa from Bacillus thuringiensis provides insights into its insecticidal activity. Commun Biol, 5, 2022
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7Y79
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![BU of 7y79 by Molmil](/molmil-images/mine/7y79) | Crystal structure of Cry78Aa | Descriptor: | Toxin | Authors: | Cao, B.B, Nie, Y.F, Wang, N.C, Guan, Z.Y, Zhang, D.L, Zhang, J. | Deposit date: | 2022-06-21 | Release date: | 2022-08-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The crystal structure of Cry78Aa from Bacillus thuringiensis provides insights into its insecticidal activity. Commun Biol, 5, 2022
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1KWA
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![BU of 1kwa by Molmil](/molmil-images/mine/1kwa) | HUMAN CASK/LIN-2 PDZ DOMAIN | Descriptor: | HCASK/LIN-2 PROTEIN, SULFATE ION | Authors: | Daniels, D.L, Cohen, A.R, Anderson, J.M, Brunger, A.T. | Deposit date: | 1998-01-16 | Release date: | 1998-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition Nat.Struct.Biol., 5, 1998
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8R9X
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8R9Z
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![BU of 8r9z by Molmil](/molmil-images/mine/8r9z) | |
8R9Y
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8R9W
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6O0E
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![BU of 6o0e by Molmil](/molmil-images/mine/6o0e) | Saxiphilin:STX complex, soaking | Descriptor: | Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | Authors: | Yen, T.J, Lolicato, M, Minor, D.L. | Deposit date: | 2019-02-16 | Release date: | 2019-07-10 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins. Sci Adv, 5, 2019
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4HCA
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![BU of 4hca by Molmil](/molmil-images/mine/4hca) | DNA binding by GATA transcription factor-complex 1 | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*A)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ... | Authors: | Chen, Y, Bates, D.L, Dey, R, Chen, L. | Deposit date: | 2012-09-28 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation. Cell Rep, 2, 2012
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6NMP
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![BU of 6nmp by Molmil](/molmil-images/mine/6nmp) | SFX structure of oxidized cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-11 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1LCS
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![BU of 1lcs by Molmil](/molmil-images/mine/1lcs) | RECEPTOR-BINDING DOMAIN FROM SUBGROUP B FELINE LEUKEMIA VIRUS | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barnett, A.L, Wensel, D.L, Li, W, Fass, D, Cunningham, J.M. | Deposit date: | 2002-04-06 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of a Coreceptor for Infection by a pathogenic feline retrovirus J.Virol., 77, 2003
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6NMF
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![BU of 6nmf by Molmil](/molmil-images/mine/6nmf) | SFX structure of reduced cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-10 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NKN
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![BU of 6nkn by Molmil](/molmil-images/mine/6nkn) | Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-07 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6MUV
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![BU of 6muv by Molmil](/molmil-images/mine/6muv) | The structure of the Plasmodium falciparum 20S proteasome in complex with two PA28 activators | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-10-23 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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7X1Z
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![BU of 7x1z by Molmil](/molmil-images/mine/7x1z) | Structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, MAGNESIUM ION | Authors: | Han, X, Zhang, D.L, Hong, L, Yu, D.Q, Wu, Z.L, Yang, T, Rust, M.J, Tu, Y.H, Ouyang, Q. | Deposit date: | 2022-02-25 | Release date: | 2023-04-19 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Determining subunit-subunit interaction from statistics of cryo-EM images: observation of nearest-neighbor coupling in a circadian clock protein complex Nat Commun, 14, 2023
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8T41
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1LRN
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![BU of 1lrn by Molmil](/molmil-images/mine/1lrn) | Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium | Descriptor: | CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | Deposit date: | 2002-05-15 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase J.Mol.Biol., 324, 2002
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7R40
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![BU of 7r40 by Molmil](/molmil-images/mine/7r40) | Structure of the SARS-CoV-2 spike glycoprotein in complex with the 87G7 antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 87G7 heavy chain variable region, ... | Authors: | Hurdiss, D.L. | Deposit date: | 2022-02-08 | Release date: | 2022-04-20 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | An ACE2-blocking antibody confers broad neutralization and protection against Omicron and other SARS-CoV-2 variants of concern. Sci Immunol, 7, 2022
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7RGO
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![BU of 7rgo by Molmil](/molmil-images/mine/7rgo) | DfrA5 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase type 5, GLYCEROL, ... | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7RGK
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![BU of 7rgk by Molmil](/molmil-images/mine/7rgk) | DfrA5 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase type 5, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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