5L6K
 
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | Deposit date: | 2016-05-30 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
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6F6W
 | | Structure of Mycobacterium smegmatis RNA polymerase core | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Kouba, T, Barvik, I, Krasny, L. | | Deposit date: | 2017-12-06 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | The Core and Holoenzyme Forms of RNA Polymerase fromMycobacterium smegmatis.
J. Bacteriol., 201, 2019
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6J6Y
 | | FGFR4 D2 - Fab complex | | Descriptor: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-08-07 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
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5L9Q
 | | OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MACROD-TYPE MACRODOMAIN, SULFATE ION | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-10 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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8S4T
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7SW4
 | | MicroED structure of proteinase K from a 540 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.4 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW9
 | | MicroED structure of proteinase K from a 170 nm thick lamella measured at 300 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1DS8
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR CD2+ | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CADMIUM ION, ... | | Authors: | Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | | Deposit date: | 2000-01-07 | | Release date: | 2000-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1DUN
 | | EIAV DUTPASE NATIVE | | Descriptor: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | | Authors: | Dauter, Z, Persson, R, Rosengren, A.M, Nyman, P.O, Wilson, K.S, Cedergren-Zeppezauer, E.S. | | Deposit date: | 1997-11-27 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of dUTPase from equine infectious anaemia virus; active site metal binding in a substrate analogue complex.
J.Mol.Biol., 285, 1999
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6EV4
 | | Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | | Deposit date: | 2017-11-01 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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6EVE
 | | Structure of R175A S. cerevisiae Fdc1 with prFMN in the iminium form | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, David, L. | | Deposit date: | 2017-11-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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5KOH
 | | Nitrogenase MoFeP from Gluconacetobacter diazotrophicus in dithionite reduced state | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Owens, C.P, Tezcan, F.A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
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8SRL
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7SVY
 | | MicroED structure of proteinase K from a 130 nm thick lamella measured at 120 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.3 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW2
 | | MicroED structure of proteinase K from a 130 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.95 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5KPN
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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7SW8
 | | MicroED structure of proteinase K from a 150 nm thick lamella measured at 300 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.9 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SWB
 | | MicroED structure of proteinase K from a 360 nm thick lamella measured at 300 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.05 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7T5S
 | | P. aeruginosa LpxA in complex with ligand H16 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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6IYM
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7T5R
 | | P. aeruginosa LpxA in complex with ligand H7 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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5KSG
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5LB1
 | | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with thionitrobenzoate (TNB) adduct at the active site cysteine-354 | | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, L,D-transpeptidase 2 | | Authors: | Steiner, E.M, Schnell, R, Schneider, G. | | Deposit date: | 2016-06-15 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
FEBS J., 284, 2017
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1E3M
 | | The crystal structure of E. coli MutS binding to DNA with a G:T mismatch | | Descriptor: | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP* GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP* TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lamers, M.H, Perrakis, A, Enzlin, J.H, Winterwerp, H.H.K, De Wind, N, Sixma, T.K. | | Deposit date: | 2000-06-19 | | Release date: | 2000-11-01 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of DNA Mismatch Repair Protein Muts Binding to a G X T Mismatch
Nature, 407, 2000
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