8YVW
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![BU of 8yvw by Molmil](/molmil-images/mine/8yvw) | Crystal structure of D12N mutant of L-azetidine-2-carboxylate hydrolase | Descriptor: | (S)-2-haloacid dehalogenase, FORMIC ACID, IMIDAZOLE, ... | Authors: | Toyoda, M, Mizutani, K, Mikami, B, Wackett, L.P, Esaki, N, Kurihara, T. | Deposit date: | 2024-03-29 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Research for the crystal structure of L-azetidine-2-carboxylate hydrolase To Be Published
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8ZM2
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![BU of 8zm2 by Molmil](/molmil-images/mine/8zm2) | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16 | Descriptor: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-22 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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9RAT
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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8ZQ3
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![BU of 8zq3 by Molmil](/molmil-images/mine/8zq3) | Structure of ORP1L-RAB7A in the presence of GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a | Authors: | Lu, Q, Zhang, J, Xu, C. | Deposit date: | 2024-05-31 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure of GDP-bound Rab7 Q67L in complex with ORP1L. Biochem.Biophys.Res.Commun., 725, 2024
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9BUL
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9BKT
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9IID
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![BU of 9iid by Molmil](/molmil-images/mine/9iid) | Crystal structure of PgAfp | Descriptor: | Antifungal protein B | Authors: | Wang, Y. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of PgAfp To Be Published
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8YM2
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![BU of 8ym2 by Molmil](/molmil-images/mine/8ym2) | Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif | Descriptor: | Ankyrin repeat and sterile alpha motif domain-containing protein 1B, Ras/Rap GTPase-activating protein SynGAP | Authors: | Wang, X, Wang, Y, Cai, Q, Zhang, M. | Deposit date: | 2024-03-08 | Release date: | 2024-05-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | AIDA-1/ANKS1B Binds to the SynGAP Family RasGAPs with High Affinity and Specificity. J.Mol.Biol., 436, 2024
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9BKF
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4UDF
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![BU of 4udf by Molmil](/molmil-images/mine/4udf) | STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES | Descriptor: | HUMAN MONOCLONAL ANTIBODY, Protein VP0, Protein VP3 | Authors: | Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies. J. Virol., 89, 2015
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8Y94
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9RSA
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9IJA
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![BU of 9ija by Molmil](/molmil-images/mine/9ija) | A local Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Taste receptor type 2 member 14 | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | Deposit date: | 2024-06-21 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist. Cell Res., 2024
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9FHP
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9CK3
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![BU of 9ck3 by Molmil](/molmil-images/mine/9ck3) | Cryo-EM structure of in-vitro alpha-synuclein fibril | Descriptor: | Alpha-synuclein | Authors: | Sanchez, J.C, Borcik, C.G, Tonelli, M, Sibert, B, Rienstra, C.M, Wright, E.R. | Deposit date: | 2024-07-08 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Multimodal High-Resolution Structure Determination Of Alpha-Synuclein Fibrils To Be Published
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9BUJ
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![BU of 9buj by Molmil](/molmil-images/mine/9buj) | Structure of PfPL1 from Pseudoalteromonas fuliginea | Descriptor: | CALCIUM ION, Pectate lyase | Authors: | Boraston, A.B, Hobbs, J.K. | Deposit date: | 2024-05-17 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of a pectin-active family 1 polysaccharide lyase from the marine bacterium Pseudoalteromonas fuliginea. Acta Crystallogr.,Sect.F, 80, 2024
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9EU8
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![BU of 9eu8 by Molmil](/molmil-images/mine/9eu8) | The FK1 domain of FKBP51 in complex with SAFit-analog 15h | Descriptor: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9BK2
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![BU of 9bk2 by Molmil](/molmil-images/mine/9bk2) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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8ZMN
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![BU of 8zmn by Molmil](/molmil-images/mine/8zmn) | Crystal structure of ANTXR1 | Descriptor: | Anthrax toxin receptor 1, SODIUM ION | Authors: | Zheng, H, Hu, J, Fu, L, Chen, R. | Deposit date: | 2024-05-23 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus To Be Published
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9EUB
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![BU of 9eub by Molmil](/molmil-images/mine/9eub) | The FK1 domain of FKBP51 in complex with SAFit-analog 24e | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9FT0
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![BU of 9ft0 by Molmil](/molmil-images/mine/9ft0) | Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9EY3
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![BU of 9ey3 by Molmil](/molmil-images/mine/9ey3) | The FK1 domain of FKBP51 in complex with (3S,11S,11aS)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxylic acid | Descriptor: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Krajczy, P, Hausch, F. | Deposit date: | 2024-04-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins. Chemistry, 2024
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9AVK
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![BU of 9avk by Molmil](/molmil-images/mine/9avk) | Structure of long Rib domain from Limosilactobacillus reuteri | Descriptor: | SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein | Authors: | Xue, Y, Kang, X. | Deposit date: | 2024-03-04 | Release date: | 2024-05-08 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri. Acta Crystallogr.,Sect.F, 80, 2024
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9C49
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