2G0G
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![BU of 2g0g by Molmil](/molmil-images/mine/2g0g) | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | Descriptor: | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | Authors: | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | Deposit date: | 2006-02-13 | Release date: | 2006-05-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities J.Med.Chem., 49, 2006
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2G0H
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![BU of 2g0h by Molmil](/molmil-images/mine/2g0h) | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | Descriptor: | N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | Authors: | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | Deposit date: | 2006-02-13 | Release date: | 2006-05-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities J.Med.Chem., 49, 2006
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4ZPV
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![BU of 4zpv by Molmil](/molmil-images/mine/4zpv) | Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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7LK9
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![BU of 7lk9 by Molmil](/molmil-images/mine/7lk9) | Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC | Descriptor: | COV107-23 heavy chain, COVD21-C8 light chain | Authors: | Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C. | Deposit date: | 2021-02-01 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain. Nat Commun, 12, 2021
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7LKA
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![BU of 7lka by Molmil](/molmil-images/mine/7lka) | Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 | Descriptor: | ACETATE ION, COV107-23 heavy chain, COV107-23 light chain | Authors: | Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C. | Deposit date: | 2021-02-02 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain. Nat Commun, 12, 2021
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4ZPW
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![BU of 4zpw by Molmil](/molmil-images/mine/4zpw) | Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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4ZRT
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![BU of 4zrt by Molmil](/molmil-images/mine/4zrt) | PTP1BC215S bound to Nephrin peptide substrate | Descriptor: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | Authors: | Selner, N.G, Bell, C.E, Pei, D. | Deposit date: | 2015-05-12 | Release date: | 2015-06-24 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases. Biochemistry, 53, 2014
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7VYO
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![BU of 7vyo by Molmil](/molmil-images/mine/7vyo) | The structure of GdmN | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-14 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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5WHU
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![BU of 5whu by Molmil](/molmil-images/mine/5whu) | Crystal structure of 3'SL bound ArtB | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ArtB protein, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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7YVN
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![BU of 7yvn by Molmil](/molmil-images/mine/7yvn) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVP
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![BU of 7yvp by Molmil](/molmil-images/mine/7yvp) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVG
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![BU of 7yvg by Molmil](/molmil-images/mine/7yvg) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVK
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![BU of 7yvk by Molmil](/molmil-images/mine/7yvk) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVO
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![BU of 7yvo by Molmil](/molmil-images/mine/7yvo) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVE
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![BU of 7yve by Molmil](/molmil-images/mine/7yve) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVH
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![BU of 7yvh by Molmil](/molmil-images/mine/7yvh) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab | Descriptor: | Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVM
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![BU of 7yvm by Molmil](/molmil-images/mine/7yvm) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab | Descriptor: | Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVF
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![BU of 7yvf by Molmil](/molmil-images/mine/7yvf) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab | Descriptor: | Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVJ
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![BU of 7yvj by Molmil](/molmil-images/mine/7yvj) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab | Descriptor: | Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVL
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![BU of 7yvl by Molmil](/molmil-images/mine/7yvl) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab | Descriptor: | Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVI
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![BU of 7yvi by Molmil](/molmil-images/mine/7yvi) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-19 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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2B96
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![BU of 2b96 by Molmil](/molmil-images/mine/2b96) | Third Calcium ion found in an inhibitor bound phospholipase A2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-METHOXYBENZOIC ACID, CALCIUM ION, ... | Authors: | Sekar, K, Velmurugan, D, Yamane, T, Tsai, M.D. | Deposit date: | 2005-10-11 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Third Calcium ion found in an inhibitor bound phospholipase A2 Acta Crystallogr.,Sect.D, 62, 2006
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5WHV
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![BU of 5whv by Molmil](/molmil-images/mine/5whv) | Crystal structure of ArtB | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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2BAX
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![BU of 2bax by Molmil](/molmil-images/mine/2bax) | Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic Phospholipase A2 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Sekar, K, Yogavel, M, Velmurugan, D, Dauter, Z, Dauter, M, Tsai, M.D. | Deposit date: | 2005-10-15 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2. Acta Crystallogr.,Sect.F, 61, 2005
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5WHT
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![BU of 5wht by Molmil](/molmil-images/mine/5wht) | Crystal structure of 3'SL bound PltB | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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