8H01
| SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants Commun Biol, 6, 2023
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8GZZ
| Local refinement of SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab | Descriptor: | Spike protein S1, rabbit monoclonal antibody 1H1 Fab heavy chain, rabbit monoclonal antibody 1H1 Fab light chain | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants Commun Biol, 6, 2023
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8HED
| Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 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, Spike protein S1, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8HEB
| SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8HEC
| SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
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8GXN
| The crystal structure of CsFAOMT2 in complex with SAH | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase | Authors: | Zhang, Z.M, Zhou, Y.E, Huang, H.S. | Deposit date: | 2022-09-20 | Release date: | 2023-09-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant. Nat Commun, 14, 2023
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5LKX
| Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A. | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5LKU
| Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | Descriptor: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5LKT
| Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A. | Descriptor: | Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-24 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5LKZ
| Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A. | Descriptor: | CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ... | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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7CJF
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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4FLB
| CID of human RPRD2 | Descriptor: | PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-14 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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4FLA
| Crystal structure of human RPRD1B, carboxy-terminal domain | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-14 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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8GXO
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4D3T
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4D3U
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4D3I
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3O
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine | Descriptor: | 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-23 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3J
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3N
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4D3M
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4D3K
| Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3V
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4DH6
| Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | Descriptor: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Sickmier, E.A. | Deposit date: | 2012-01-27 | Release date: | 2012-04-18 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
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4DI2
| Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | Descriptor: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-01-30 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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