4APV
| The Klebsiella pneumoniae primosomal PriB protein: identification, crystal structure, and ssDNA binding mode | Descriptor: | PRIMOSOMAL REPLICATION PROTEIN N | Authors: | Lo, Y.H, Huang, Y.H, Hsiao, C.D, Huang, C.Y. | Deposit date: | 2012-04-06 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Crystal Structure and DNA-Binding Mode of Klebsiella Pneumoniae Primosomal Prib Protein. Genes Cells, 17, 2012
|
|
7QK4
| EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QJG
| EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QJU
| EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
5H25
| EED in complex with PRC2 allosteric inhibitor compound 11 | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
|
|
5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
|
|
7WOI
| Structure of the shaft pilin Spa2 from Corynebacterium glutamicum | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Spa2 | Authors: | Wu, Y.F, Wang, L.T, Huang, Y.Y, Zhong, C, Zhou, J. | Deposit date: | 2022-01-21 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Accelerating the design of pili-enabled living materials using an integrative technological workflow. Nat.Chem.Biol., 2023
|
|
6UWL
| |
6UWF
| GltPh in complex with L-aspartate and sodium ions in outward-facing state | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Wang, X, Boudker, O. | Deposit date: | 2019-11-05 | Release date: | 2020-06-03 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog. Nat.Chem.Biol., 16, 2020
|
|
2MT8
| |
2OFS
| Crystal structure of human CD59 | Descriptor: | CD59 glycoprotein | Authors: | Davies, C. | Deposit date: | 2007-01-04 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of CD59: implications for molecular recognition of the complement proteins C8 and C9 in the membrane-attack complex. Acta Crystallogr.,Sect.D, 63, 2007
|
|
8H0F
| Crystal structure of collagen heterotrimer with KD,ER and KE axial pairs | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | Authors: | Fan, S. | Deposit date: | 2022-09-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities. Biophys.J., 122, 2023
|
|
8H0E
| Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | Authors: | Fan, S. | Deposit date: | 2022-09-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities. Biophys.J., 122, 2023
|
|
8GZO
| |
6LS5
| Structure of human liver FBPase complexed with covalent allosteric inhibitor | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | Deposit date: | 2020-01-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction. J.Med.Chem., 63, 2020
|
|
4WIV
| Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, X, Blacklow, S. | Deposit date: | 2014-09-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors. J.Med.Chem., 57, 2014
|
|
4WXM
| FleQ REC domain from Pseudomonas aeruginosa PAO1 | Descriptor: | Transcriptional regulator FleQ | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2014-11-14 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator J.Struct.Biol., 192, 2015
|
|
4Y87
| Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
|
|
4Y8C
| Crystal structure of phosphodiesterase 9 in complex with (S)-C33 | Descriptor: | 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
|
|
4Y86
| Crystal structure of PDE9 in complex with racemic inhibitor C33 | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
|
|
7N5H
| Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein | Descriptor: | 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Casner, R.G, Cerutti, G, Shapiro, L. | Deposit date: | 2021-06-05 | Release date: | 2021-11-03 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses. Emerg Microbes Infect, 11, 2022
|
|
6U6P
| |
7RW2
| |
6U38
| PCSK9 in complex with a Fab and compound 8 | Descriptor: | 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-21 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
|
|
8EJM
| |