5G2Y
 
 | | Structure a of Group II Intron Complexed with its Reverse Transcriptase | | Descriptor: | GROUP II INTRON | | Authors: | Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W. | | Deposit date: | 2016-04-16 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
|
|
5CET
 | | Crystal structure of Rv2837c | | Descriptor: | Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION | | Authors: | Wang, F, He, Q, Zhu, D, Liu, S, Gu, L. | | Deposit date: | 2015-07-07 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase
J.Biol.Chem., 291, 2016
|
|
5HU9
 | | Crystal structure of ABL1 in complex with CHMFL-074 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2016-01-27 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
|
|
4FI9
 | | Structure of human SUN-KASH complex | | Descriptor: | Nesprin-2, SUN domain-containing protein 2 | | Authors: | Wang, W.J, Shi, Z.B. | | Deposit date: | 2012-06-08 | | Release date: | 2012-07-18 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
|
|
5KU9
 | | Crystal structure of MCL1 with compound 1 | | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-07-13 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
|
|
5MES
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
|
|
5MEV
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21 | | Descriptor: | (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
|
|
6IVE
 | |
7ESX
 | | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip | | Descriptor: | Bacteria factor 1 | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ESY
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip | | Descriptor: | Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ESZ
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip | | Descriptor: | BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7ET0
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip | | Descriptor: | Bacteria factor A, Bacteria factor B | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6OQX
 | | Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator | | Descriptor: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
|
|
6OR1
 | | Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator | | Descriptor: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
|
|
3WD5
 | | Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | | Descriptor: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | | Authors: | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | | Deposit date: | 2013-06-06 | | Release date: | 2013-08-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
|
|
8G3C
 | |
8G3E
 | | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Zhao, M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
|
|
6OQY
 | | Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator | | Descriptor: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
|
|
6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
|
|
6JO7
 | | Crystal structure of mouse MXRA8 | | Descriptor: | Matrix remodeling-associated protein 8 | | Authors: | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F. | | Deposit date: | 2019-03-20 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
|
|
5E05
 | |
6JO8
 | | The complex structure of CHIKV envelope glycoprotein bound to human MXRA8 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ... | | Authors: | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G. | | Deposit date: | 2019-03-20 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.495 Å) | | Cite: | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
|
|
6LI6
 | | Crystal structure of MCR-1-S treated by Au(PEt3)Cl | | Descriptor: | GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2019-12-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
|
|
6ADM
 | |
8H6I
 | | The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5 | | Authors: | Lin, M, Liu, X. | | Deposit date: | 2022-10-17 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
|
|
