7WA9
 
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1BYW
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6QGI
 | | Crystal structure of VP5 from Haloarchaeal pleomorphic virus 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, VP5 | | Authors: | El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
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6QGL
 | | Crystal structure of VP5 from Haloarchaeal pleomorphic virus 6 | | Descriptor: | BROMIDE ION, VP5 | | Authors: | El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
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8WE3
 | | Crystal structure of human FABP4 complexed with C7 | | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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8W4Q
 | | Crystal structure of PDE4D complexed with CX-4945 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4R
 | | Crystal structure of PDE4D complexed with CVT-313 | | Descriptor: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4T
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4S
 | | Crystal structure of PDE5A in complex with CVT-313 | | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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6X9I
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6X9K
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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6X9J
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
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8GL9
 | | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | | Descriptor: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | | Authors: | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | | Deposit date: | 2023-03-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
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8GLA
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5LRN
 | | Structure of mono-zinc MCR-1 in P21 space group | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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5LRM
 | | Structure of di-zinc MCR-1 in P41212 space group | | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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1JW6
 | | Crystal Structure of the Complex of Concanavalin A and Hexapeptide | | Descriptor: | CALCIUM ION, Concanavalin A, ISOPROPYL ALCOHOL, ... | | Authors: | Zhang, Z, Qian, M, Huang, Q, Jia, Y, Tang, Y. | | Deposit date: | 2001-09-02 | | Release date: | 2001-09-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of the complex of concanavalin A and hexapeptide.
J.Protein Chem., 20, 2001
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8GN3
 | | The crystal structure of ZBTB10 ZF1-2 in complex with telomeric vairant repeat TTGGGG | | Descriptor: | DNA (5'-D(*AP*TP*AP*CP*AP*AP*CP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*GP*GP*TP*TP*GP*TP*A)-3'), ZINC ION, ... | | Authors: | Li, F.D, Wang, S.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
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7V29
 | | Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION | | Authors: | Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H. | | Deposit date: | 2021-08-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
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8GN4
 | | The crystal structure of ZBTB10 ZF1-2 R767Q in complex with telomeric DNA TTAGGG | | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*AP*AP*CP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*TP*A)-3'), ZINC ION, ... | | Authors: | Li, F.D, Wang, S.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
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6U6P
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6U6R
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6U6S
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6U6Q
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8WDX
 | | Crystal structure of human FABP4 complexed with C3 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ... | | Authors: | Xie, H, Chen, G.F, Xu, Y.C. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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