7Z5S
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![BU of 7z5s by Molmil](/molmil-images/mine/7z5s) | Crystal Structure of botulinum neurotoxin A2 cell binding domain in complex with GD1a | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin, HEXAETHYLENE GLYCOL, ... | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B. | Deposit date: | 2022-03-10 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain. Toxins, 14, 2022
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7Z5T
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![BU of 7z5t by Molmil](/molmil-images/mine/7z5t) | Crystal Structure of botulinum neurotoxin A2 cell binding domain | Descriptor: | ACETATE ION, Botulinum neurotoxin, PENTAETHYLENE GLYCOL | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B. | Deposit date: | 2022-03-10 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain. Toxins, 14, 2022
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7Z62
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![BU of 7z62 by Molmil](/molmil-images/mine/7z62) | Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Varrot, A. | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties. Eur.J.Med.Chem., 247, 2022
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7Z63
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![BU of 7z63 by Molmil](/molmil-images/mine/7z63) | |
7Z66
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![BU of 7z66 by Molmil](/molmil-images/mine/7z66) | |
7Z6I
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![BU of 7z6i by Molmil](/molmil-images/mine/7z6i) | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | Descriptor: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-11 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z6P
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![BU of 7z6p by Molmil](/molmil-images/mine/7z6p) | Diels-Alderase AbyU mutant - Y76F | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | Authors: | Tiwari, K, Burton, N.M, Yang, S, Race, P.R. | Deposit date: | 2022-03-14 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of Diels-Alderase AbyU mutant Y76F at 1.56 Angstroms resolution. To Be Published
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7Z6T
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![BU of 7z6t by Molmil](/molmil-images/mine/7z6t) | Aspergillus clavatus M36 protease without the propeptide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Extracellular metalloproteinase mep, ... | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | Deposit date: | 2022-03-14 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Aspergillus clavatus M36 protease without the propeptide To Be Published
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7Z89
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![BU of 7z89 by Molmil](/molmil-images/mine/7z89) | Sam68 | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Isoform 2 of KH domain-containing, ... | Authors: | Nadal, M, Fuentes-Prior, P. | Deposit date: | 2022-03-16 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci., 32, 2023
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7Z8A
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![BU of 7z8a by Molmil](/molmil-images/mine/7z8a) | Sam68 | Descriptor: | 1,2-ETHANEDIOL, KHDR1 protein, LITHIUM ION, ... | Authors: | Nadal, M, Fuentes-Prior, P. | Deposit date: | 2022-03-16 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci., 32, 2023
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7Z8F
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7Z9A
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![BU of 7z9a by Molmil](/molmil-images/mine/7z9a) | Sam68 | Descriptor: | 1,2-ETHANEDIOL, Isoform 2 of KH domain-containing, RNA-binding, ... | Authors: | Nadal, M, Fuentes-Prior, P. | Deposit date: | 2022-03-20 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci., 32, 2023
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7Z9B
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![BU of 7z9b by Molmil](/molmil-images/mine/7z9b) | Sam68 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... | Authors: | Nadal, M, Fuentes-Prior, P. | Deposit date: | 2022-03-20 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.333 Å) | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci., 32, 2023
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7Z9H
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![BU of 7z9h by Molmil](/molmil-images/mine/7z9h) | ATAD2 in complex with PepLite-Asp | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 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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7Z9I
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![BU of 7z9i by Molmil](/molmil-images/mine/7z9i) | ATAD2 in complex with PepLite-Ala | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | 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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7Z9J
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![BU of 7z9j by Molmil](/molmil-images/mine/7z9j) | ATAD2 in complex with PepLite-Gly | Descriptor: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 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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7Z9N
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![BU of 7z9n by Molmil](/molmil-images/mine/7z9n) | ATAD2 in complex with PepLite-Val | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 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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7Z9O
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![BU of 7z9o by Molmil](/molmil-images/mine/7z9o) | ATAD2 in complex with PepLite-Tyr | Descriptor: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 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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7Z9S
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![BU of 7z9s by Molmil](/molmil-images/mine/7z9s) | ATAD2 in complex with PepLite-Arg | Descriptor: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-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: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | 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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7Z9T
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![BU of 7z9t by Molmil](/molmil-images/mine/7z9t) | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-21 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z9U
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![BU of 7z9u by Molmil](/molmil-images/mine/7z9u) | ATAD2 in complex with Acetyl-Lys | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 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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7Z9W
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![BU of 7z9w by Molmil](/molmil-images/mine/7z9w) | BRD4 in complex with FragLite1 | Descriptor: | 4-bromo-1H-pyrazole, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.988 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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7Z9Y
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![BU of 7z9y by Molmil](/molmil-images/mine/7z9y) | BRD4 in complex with FragLite2 | Descriptor: | 4-IODOPYRAZOLE, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.04 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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7Z9Z
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![BU of 7z9z by Molmil](/molmil-images/mine/7z9z) | Mutant L39Y of recombinant bovine beta-lactoglobulin in complex with pramocaine | Descriptor: | Beta-lactoglobulin, CHLORIDE ION, Pramocaine, ... | Authors: | Loch, J.I, Kurpiewska, K, Bonarek, P. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies. J.Mol.Recognit., 36, 2023
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7ZA0
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![BU of 7za0 by Molmil](/molmil-images/mine/7za0) | |