8GU5
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![BU of 8gu5 by Molmil](/molmil-images/mine/8gu5) | Wild type poly(ethylene terephthalate) hydrolase | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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4WVD
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![BU of 4wvd by Molmil](/molmil-images/mine/4wvd) | Identification of a novel FXR ligand that regulates metabolism | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | Authors: | Wang, R, Li, Y. | Deposit date: | 2014-11-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
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7MY2
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![BU of 7my2 by Molmil](/molmil-images/mine/7my2) | |
7MY3
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![BU of 7my3 by Molmil](/molmil-images/mine/7my3) | |
3NKS
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![BU of 3nks by Molmil](/molmil-images/mine/3nks) | Structure of human protoporphyrinogen IX oxidase | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Shen, Y. | Deposit date: | 2010-06-21 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into human variegate porphyria disease Faseb J., 25, 2011
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3SHY
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![BU of 3shy by Molmil](/molmil-images/mine/3shy) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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3SHZ
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![BU of 3shz by Molmil](/molmil-images/mine/3shz) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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8SLR
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![BU of 8slr by Molmil](/molmil-images/mine/8slr) | Crystal Structure of mouse TRAIL | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pedersen, L.C, Xu, D. | Deposit date: | 2023-04-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis. Elife, 12, 2024
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2V59
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![BU of 2v59 by Molmil](/molmil-images/mine/2v59) | |
2V58
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![BU of 2v58 by Molmil](/molmil-images/mine/2v58) | CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | Descriptor: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-10-02 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
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2V5A
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![BU of 2v5a by Molmil](/molmil-images/mine/2v5a) | |
7N3E
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![BU of 7n3e by Molmil](/molmil-images/mine/7n3e) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032 | Descriptor: | C032 Fab Heavy Chain, C032 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3G
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![BU of 7n3g by Molmil](/molmil-images/mine/7n3g) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098 | Descriptor: | C098 Fab Heavy Chain, C098 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3F
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![BU of 7n3f by Molmil](/molmil-images/mine/7n3f) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3I
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![BU of 7n3i by Molmil](/molmil-images/mine/7n3i) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment C098 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C098 Fab heavy chain, C098 Fab light chain, ... | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3H
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![BU of 7n3h by Molmil](/molmil-images/mine/7n3h) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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5D0Q
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![BU of 5d0q by Molmil](/molmil-images/mine/5d0q) | BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
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5D0O
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![BU of 5d0o by Molmil](/molmil-images/mine/5d0o) | BamABCDE complex, outer membrane beta barrel assembly machinery entire complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C. | Deposit date: | 2015-08-03 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of outer membrane protein insertion by the BAM complex. Nature, 531, 2016
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3GAC
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![BU of 3gac by Molmil](/molmil-images/mine/3gac) | Structure of mif with HPP | Descriptor: | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ... | Authors: | Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H. | Deposit date: | 2009-02-17 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host Mol.Immunol., 47, 2010
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3GAD
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![BU of 3gad by Molmil](/molmil-images/mine/3gad) | Structure of apomif | Descriptor: | ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION | Authors: | Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H. | Deposit date: | 2009-02-17 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host Mol.Immunol., 47, 2010
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7BZA
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![BU of 7bza by Molmil](/molmil-images/mine/7bza) | Template lasso peptide C24 | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7BZ8
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![BU of 7bz8 by Molmil](/molmil-images/mine/7bz8) | Template lasso peptide C24 mutant V3A | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7BZ9
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![BU of 7bz9 by Molmil](/molmil-images/mine/7bz9) | Template lasso peptide C24 mutant I4A | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-04-27 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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