6BH5
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
|
|
6BH1
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
|
|
6BGX
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
|
|
6BGY
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
|
|
6T64
| A model of the EIAV CA-SP hexamer (C6) from Gag-deltaMA spheres assembled at pH6 | Descriptor: | Gag polyprotein | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | Deposit date: | 2019-10-17 | Release date: | 2020-01-15 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
|
|
6T63
| A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6 | Descriptor: | Gag polyprotein | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | Deposit date: | 2019-10-17 | Release date: | 2020-01-15 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
|
|
6T61
| A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH8 | Descriptor: | Gag polyprotein | Authors: | Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M. | Deposit date: | 2019-10-17 | Release date: | 2020-01-15 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly. Plos Pathog., 16, 2020
|
|
6OX5
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
|
|
6OX2
| SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
|
|
6Q40
| A secreted LysM effector of the wheat pathogen Zymoseptoria tritici protects the fungal hyphae against chitinase hydrolysis through ligand-dependent polymerisation of LysM homodimers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LysM domain-containing protein | Authors: | Mesters, J.R, Saleem-Batcha, R, Sanchez-Vallet, A, Thomma, B.P.H.J. | Deposit date: | 2018-12-05 | Release date: | 2019-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization. Plos Pathog., 16, 2020
|
|
3UAS
| Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | Deposit date: | 2011-10-21 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.939 Å) | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
|
|
5K9J
| Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization. | Descriptor: | 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34) | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
|
|
5K9K
| Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
|
|
5KAN
| Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
|
|
5KAQ
| Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2017-02-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
|
|
5K9O
| Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.387 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
|
|
5K9Q
| Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | Descriptor: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
|
|
5MIL
| Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity islands transfer. | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase family protein, MAGNESIUM ION | Authors: | Donderis, J, Marina, A, Penades, J.R. | Deposit date: | 2016-11-28 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity island transfer. Elife, 6, 2017
|
|
6DQB
| LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQ8
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQ6
| |
6DQF
| |
6DQA
| Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQC
| |
6DQ7
| |