6DRH
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![BU of 6drh by Molmil](/molmil-images/mine/6drh) | ADP-ribosyltransferase toxin/immunity pair | Descriptor: | ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein, ... | Authors: | Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D. | Deposit date: | 2018-06-11 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins. Cell, 175, 2018
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6DRE
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![BU of 6dre by Molmil](/molmil-images/mine/6dre) | ADP-ribosyltransferase toxin/immunity pair | Descriptor: | ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein | Authors: | Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D. | Deposit date: | 2018-06-11 | Release date: | 2018-10-31 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins. Cell, 175, 2018
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6DRW
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6WXN
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![BU of 6wxn by Molmil](/molmil-images/mine/6wxn) | EGFR(T790M/V948R) in complex with LN3844 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2020-05-11 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | 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
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![BU of 1oy9 by Molmil](/molmil-images/mine/1oy9) | Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B, ETHIDIUM | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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6XUJ
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![BU of 6xuj by Molmil](/molmil-images/mine/6xuj) | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M. | Deposit date: | 2020-01-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
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6XL4
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![BU of 6xl4 by Molmil](/molmil-images/mine/6xl4) | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Beyett, T.S, Eck, M.J. | Deposit date: | 2020-06-28 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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7JQD
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![BU of 7jqd by Molmil](/molmil-images/mine/7jqd) | Crystal Structure of PAC1r in complex with peptide antagonist | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | Deposit date: | 2020-08-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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![BU of 7jtu by Molmil](/molmil-images/mine/7jtu) | Cytidine deaminase T6S toxin from Pseudomonas syringae | Descriptor: | SsdA, SsdAI | Authors: | Bosch, D.E, Hsu, F, de Moraes, M.H, Mougous, J.D. | Deposit date: | 2020-08-18 | Release date: | 2021-03-31 | Last modified: | 2021-04-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | An interbacterial DNA deaminase toxin directly mutagenizes surviving target populations. Elife, 10, 2021
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6YES
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![BU of 6yes by Molmil](/molmil-images/mine/6yes) | |
6EX0
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![BU of 6ex0 by Molmil](/molmil-images/mine/6ex0) | |
6FDR
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![BU of 6fdr by Molmil](/molmil-images/mine/6fdr) | 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | Authors: | Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D. | Deposit date: | 1998-12-11 | Release date: | 1998-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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
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![BU of 7fqd by Molmil](/molmil-images/mine/7fqd) | DHFR:NADP+:FOL complex (crystal 2, pass 2, 280 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | 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
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![BU of 7fq7 by Molmil](/molmil-images/mine/7fq7) | DHFR:NADP+:FOL complex (crystal 1, pass 1, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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
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![BU of 7fpp by Molmil](/molmil-images/mine/7fpp) | DHFR:NADP+:FOL complex at 280 K (crystal 5) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | 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
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![BU of 1oyd by Molmil](/molmil-images/mine/1oyd) | Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B, DEQUALINIUM | Authors: | Yu, E.W, MeDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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7FQ9
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![BU of 7fq9 by Molmil](/molmil-images/mine/7fq9) | DHFR:NADP+:FOL complex (crystal 1, pass 3, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | 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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7FQ0
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![BU of 7fq0 by Molmil](/molmil-images/mine/7fq0) | DHFR:NADP+:FOL complex at 300 K (crystal 4) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-10 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | 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
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![BU of 7fqb by Molmil](/molmil-images/mine/7fqb) | DHFR:NADP+:FOL complex (crystal 1, pass 5, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | 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
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![BU of 7fpq by Molmil](/molmil-images/mine/7fpq) | DHFR:NADP+:FOL complex at 280 K (multi-crystal) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | 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
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![BU of 7fqc by Molmil](/molmil-images/mine/7fqc) | DHFR:NADP+:FOL complex (crystal 2, pass 1, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | 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
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![BU of 7fpl by Molmil](/molmil-images/mine/7fpl) | DHFR:NADP+:FOL complex at 280 K (crystal 1) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | 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
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | Descriptor: | 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 | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-16 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 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
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![BU of 6xjk by Molmil](/molmil-images/mine/6xjk) | JAK2 JH2 in complex with JAK067 | Descriptor: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2020-06-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.023508 Å) | Cite: | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms. J Chem Theory Comput, 16, 2020
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