6DRH
| ADP-ribosyltransferase toxin/immunity pair | 分子名称: | ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein, ... | 著者 | Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D. | 登録日 | 2018-06-11 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins. Cell, 175, 2018
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6DRE
| ADP-ribosyltransferase toxin/immunity pair | 分子名称: | ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein | 著者 | Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D. | 登録日 | 2018-06-11 | 公開日 | 2018-10-31 | 最終更新日 | 2018-11-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins. Cell, 175, 2018
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6DRW
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6WXN
| EGFR(T790M/V948R) in complex with LN3844 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-05-11 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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1OY9
| Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | 分子名称: | Acriflavine resistance protein B, ETHIDIUM | 著者 | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | 登録日 | 2003-04-03 | 公開日 | 2003-05-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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6XUJ
| HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | 分子名称: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | 著者 | Marsh, M.E, Scott, D.E, Hyvonen, M. | 登録日 | 2020-01-20 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery To be published
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6XL4
| EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Beyett, T.S, Eck, M.J. | 登録日 | 2020-06-28 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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7JQD
| Crystal Structure of PAC1r in complex with peptide antagonist | 分子名称: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | 著者 | Piper, D.E, Hu, E, Fang-Tsao, H. | 登録日 | 2020-08-10 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model. J.Med.Chem., 64, 2021
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7JTU
| Cytidine deaminase T6S toxin from Pseudomonas syringae | 分子名称: | SsdA, SsdAI | 著者 | Bosch, D.E, Hsu, F, de Moraes, M.H, Mougous, J.D. | 登録日 | 2020-08-18 | 公開日 | 2021-03-31 | 最終更新日 | 2021-04-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | An interbacterial DNA deaminase toxin directly mutagenizes surviving target populations. Elife, 10, 2021
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6YES
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6EX0
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6FDR
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A | 分子名称: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | 著者 | Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D. | 登録日 | 1998-12-11 | 公開日 | 1998-12-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster. Biochemistry, 38, 1999
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6EWZ
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7FQD
| DHFR:NADP+:FOL complex (crystal 2, pass 2, 280 K) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQ7
| DHFR:NADP+:FOL complex (crystal 1, pass 1, 295 K) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPP
| DHFR:NADP+:FOL complex at 280 K (crystal 5) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-09 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQ9
| DHFR:NADP+:FOL complex (crystal 1, pass 3, 295 K) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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1OYD
| Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump | 分子名称: | Acriflavine resistance protein B, DEQUALINIUM | 著者 | Yu, E.W, MeDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | 登録日 | 2003-04-03 | 公開日 | 2003-05-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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7FQ0
| DHFR:NADP+:FOL complex at 300 K (crystal 4) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-10 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQB
| DHFR:NADP+:FOL complex (crystal 1, pass 5, 295 K) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPQ
| DHFR:NADP+:FOL complex at 280 K (multi-crystal) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-09 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQC
| DHFR:NADP+:FOL complex (crystal 2, pass 1, 295 K) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPL
| DHFR:NADP+:FOL complex at 280 K (crystal 1) | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-09-09 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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6XTW
| HumRadA33F in complex with peptidic inhibitor 6 | 分子名称: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | 著者 | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | 登録日 | 2020-01-16 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6XJK
| JAK2 JH2 in complex with JAK067 | 分子名称: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2020-06-24 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.023508 Å) | 主引用文献 | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms. J Chem Theory Comput, 16, 2020
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