6Q45
| F1-ATPase from Fusobacterium nucleatum | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M. | Deposit date: | 2018-12-05 | Release date: | 2019-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum. Open Biology, 9, 2019
|
|
6F5R
| Crystal Structure of KDM4D with GF028 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.607 Å) | Cite: | Crystal Structure of KDM4D with GF028 ligand To be published
|
|
4UHB
| Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1 | Descriptor: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | Authors: | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
|
|
5LAE
| Crystal structure of murine N1-acetylpolyamine oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Authors: | Sjogren, T, Aagaard, A, Snijder, A, Barlind, L. | Deposit date: | 2016-06-14 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
|
|
1A5O
| K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | Deposit date: | 1998-02-17 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand. Biochemistry, 37, 1998
|
|
6QCK
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262 | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid, DIMETHYL SULFOXIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2018-12-28 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. J.Steroid Biochem.Mol.Biol., 189, 2019
|
|
5KZL
| Structure of Heme Oxygenase from Leptospira interrogans | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Klinke, S, Soldano, A, Otero, L.H, Rivera, M, Catalano-Dupuy, D.L, Ceccarelli, E.A. | Deposit date: | 2016-07-25 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and mutational analyses of the Leptospira interrogans virulence-related heme oxygenase provide insights into its catalytic mechanism. PLoS ONE, 12, 2017
|
|
6QCM
| Cryo em structure of the Listeria stressosome | Descriptor: | RsbR protein, RsbR protein,RsbR protein, RsbS protein | Authors: | Williams, A.H, Redzej, A, Waksman, G, Cossart, P. | Deposit date: | 2018-12-28 | Release date: | 2019-08-21 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.21 Å) | Cite: | The cryo-electron microscopy supramolecular structure of the bacterial stressosome unveils its mechanism of activation. Nat Commun, 10, 2019
|
|
4UJC
| mammalian 80S HCV-IRES initiation complex with eIF5B POST-like state | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES1, ... | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2014-06-18 | Release date: | 2014-07-30 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Structure of the Mammalian 80S Initiation Complex with Initiation Factor 5B on Hcv-Ires RNA. Nat.Struct.Mol.Biol., 21, 2014
|
|
6F8B
| LasB bound to thiol based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-12-12 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding Mode Characterization and Early in Vivo Evaluation of Fragment-Like Thiols as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa. ACS Infect Dis, 4, 2018
|
|
5LAY
| Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | Descriptor: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
|
|
5L0Y
| |
5IP4
| X-RAY STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | Descriptor: | Neuronal migration protein doublecortin, XA4551 NANOBODY AGAINST C-DCX | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | Deposit date: | 2016-03-09 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
|
|
6WG1
| |
5A92
| 15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
7SIF
| Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | Deposit date: | 2021-10-14 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control. Immunol.Cell.Biol., 102, 2024
|
|
5L2S
| The X-ray co-crystal structure of human CDK6 and Abemaciclib. | Descriptor: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
|
|
5A3I
| Crystal Structure of a Complex formed between FLD194 Fab and Transmissible Mutant H5 Haemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HAEMAGGLUTININ HA1 FAB HEAVY CHAIN, ... | Authors: | Xiong, X, Corti, D, Liu, J, Pinna, D, Foglierini, M, Calder, L.J, Martin, S.R, Lin, Y.P, Walker, P.A, Collins, P.J, Monne, I, Suguitan Jr, A.L, Santos, C, Temperton, N.J, Subbarao, K, Lanzavecchia, A, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2015-06-01 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Complexes Formed by H5 Influenza Hemagglutinin with a Potent Broadly Neutralizing Human Monoclonal Antibody. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6WI4
| Caspases from Scleractinian Coral | Descriptor: | ACE-DEVD inhibitor, Caspase-3 | Authors: | Clark, A.C, Swartz, P.D. | Deposit date: | 2020-04-08 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Caspases from scleractinian coral show unique regulatory features. J.Biol.Chem., 295, 2020
|
|
6QIY
| CI-2, conformation 1 | Descriptor: | Subtilisin-chymotrypsin inhibitor-2A | Authors: | Romero, A, Ruiz, F.M. | Deposit date: | 2019-01-21 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering protein assemblies with allosteric control via monomer fold-switching. Nat Commun, 10, 2019
|
|
1A5N
| K217A VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | Deposit date: | 1998-02-17 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand. Biochemistry, 37, 1998
|
|
5A6M
| Determining the specificities of the catalytic site from the very high resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with a xylotetraose bound | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Freire, F, Verma, A.K, Bule, P, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-06-30 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum Acta Crystallogr.,Sect.D, 72, 2016
|
|
4UOF
| Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with dADP | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Lopez-Zavala, A.A, Stojanoff, V, Rudino-Pinera, E, Sotelo-Mundo, R.R. | Deposit date: | 2014-06-03 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Structure of Nucleoside Diphosphate Kinase from the Pacific Shrimp (Litopenaeus Vannamei) in Binary Complexes with Purine and Pyrimidine Nucleoside Diphosphates Acta Crystallogr.,Sect.F, 79, 2014
|
|
6CP9
| Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342 | Descriptor: | CdiA, CdiI | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins. Structure, 27, 2019
|
|
6QKJ
| EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine | Descriptor: | CHLORIDE ION, FE (III) ION, IMIDAZOLE, ... | Authors: | Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P. | Deposit date: | 2019-01-29 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum. J.Am.Chem.Soc., 141, 2019
|
|