7NGU
 
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4WEY
 | | Crystal structure of E.Coli DsbA in complex with compound 17 | | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5MVP
 | | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | | Descriptor: | DNA, POTASSIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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7NGY
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7NGW
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6B73
 | | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
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8TYO
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6BFK
 | | Caspase-3 Mutant- T245A | | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-26 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.753 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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8DXP
 | | Structure of LRRC8C-LRRC8A(IL125) Chimera, Class 3 | | Descriptor: | Volume-regulated anion channel subunit LRRC8C,Volume-regulated anion channel subunit LRRC8A | | Authors: | Takahashi, H, Yamada, T, Denton, J.S, Strange, K, Karakas, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of a LRRC8 chimera with native functional properties reveal heptameric assembly.
Elife, 12, 2023
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8DXQ
 | | Structure of LRRC8C-LRRC8A(IL125) Chimera, Class 4 | | Descriptor: | Volume-regulated anion channel subunit LRRC8C,Volume-regulated anion channel subunit LRRC8A | | Authors: | Takahashi, H, Yamada, T, Denton, J.S, Strange, K, Karakas, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of a LRRC8 chimera with native functional properties reveal heptameric assembly.
Elife, 12, 2023
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6VC0
 | | Crystal structure of the horse MLKL pseudokinase domain | | Descriptor: | GLYCEROL, Mixed lineage kinase domain like pseudokinase | | Authors: | Davies, K.A, Czabotar, P.E. | | Deposit date: | 2019-12-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.746 Å) | | Cite: | Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
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8TYL
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8DXN
 | | Structure of LRRC8C-LRRC8A(IL125) Chimera, Class 1 | | Descriptor: | Volume-regulated anion channel subunit LRRC8C,Volume-regulated anion channel subunit LRRC8A | | Authors: | Takahashi, H, Yamada, T, Denton, J.S, Strange, K, Karakas, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a LRRC8 chimera with native functional properties reveal heptameric assembly.
Elife, 12, 2023
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4YW7
 | | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
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8E51
 | | Crystal Structure of Iridescent Shark Catfish Cadherin-23 EC1-2 and Protocadherin-15 EC1-2 | | Descriptor: | CALCIUM ION, Cadherin-23, POTASSIUM ION, ... | | Authors: | Scheib, E, Nisler, C.R, Sotomayor, M. | | Deposit date: | 2022-08-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Interpreting the Evolutionary Echoes of a Protein Complex Essential for Inner-Ear Mechanosensation.
Mol.Biol.Evol., 40, 2023
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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5MUQ
 | | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom | | Descriptor: | IMIDAZOLE, ZINC ION, antibody Fab heavy chain, ... | | Authors: | Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E. | | Deposit date: | 2017-01-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom
To be published
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7R05
 | | ATAD2 in complex with PepLite-Ile | | Descriptor: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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6I4T
 | | Crystal structure of the disease-causing I445M mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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7R0Y
 | | ATAD2 in complex with PepLite-Glu | | Descriptor: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QWO
 | | ATAD2 in complex with FragLite6 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-25 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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8DXR
 | | Structure of LRRC8C-LRRC8A(IL125) Chimera, Class 5 | | Descriptor: | Volume-regulated anion channel subunit LRRC8C,Volume-regulated anion channel subunit LRRC8A | | Authors: | Takahashi, H, Yamada, T, Denton, J.S, Strange, K, Karakas, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of a LRRC8 chimera with native functional properties reveal heptameric assembly.
Elife, 12, 2023
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7QX1
 | | ATAD2 in complex with FragLite7 | | Descriptor: | 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-26 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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8DXO
 | | Structure of LRRC8C-LRRC8A(IL125) Chimera, Class 2 | | Descriptor: | Volume-regulated anion channel subunit LRRC8C,Volume-regulated anion channel subunit LRRC8A | | Authors: | Takahashi, H, Yamada, T, Denton, J.S, Strange, K, Karakas, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of a LRRC8 chimera with native functional properties reveal heptameric assembly.
Elife, 12, 2023
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8UYD
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