5UZU
 
 | | Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | de Jong, N, Geisbrecht, B.V, van Strijp, J, Haas, P, Nijland, R, Ramyar, K, Fevre, C, Guerra, F, Voyich-Kane, J, van Kessel, C, Garcia, B. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Immune evasion by a staphylococcal inhibitor of myeloperoxidase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6C83
 | | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5ES3
 | | Co-crystal structure of LDH liganded with oxamate | | Descriptor: | L-lactate dehydrogenase A chain, OXAMIC ACID | | Authors: | Nowicki, M.W, Wear, M.A, McNae, I.W, Blackburn, E.A. | | Deposit date: | 2015-11-16 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Streamlined, Automated Protocol for the Production of Milligram Quantities of Untagged Recombinant Rat Lactate Dehydrogenase A Using AKTAxpressTM.
Plos One, 10, 2015
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5W6G
 | | Human antibody 6649 in complex with influenza hemagglutinin H1 Solomon Islands | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6649 antibody heavy chain, ... | | Authors: | Raymond, D.D, Harrison, S.C. | | Deposit date: | 2017-06-16 | | Release date: | 2017-12-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5LAQ
 | | Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 | | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2016-06-14 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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1AEU
 | | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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1AA4
 | | SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-01-22 | | Release date: | 1997-07-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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5F53
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8YOR
 | | Complex of HARSWHEP and a-HARSWHEP Fab | | Descriptor: | Histidine--tRNA ligase, cytoplasmic, a-HARSWHEP Fab-heavy chain, ... | | Authors: | Zhai, L. | | Deposit date: | 2024-03-13 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A human histidyl-tRNA synthetase splice variant therapeutic targets NRP2 to resolve lung inflammation and fibrosis.
Sci Transl Med, 17, 2025
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1AES
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE) | | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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6CON
 | | Crystal structure of Mycobacterium tuberculosis IpdAB | | Descriptor: | CoA-transferase subunit alpha, CoA-transferase subunit beta | | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1AET
 | | VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE) | | Descriptor: | 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
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5W9P
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5RAT
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6RVB
 | | NADH-dependent Coenzyme A Disulfide Reductase soaked with NADH | | Descriptor: | COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, ... | | Authors: | Koepke, J, Preu, J. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
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8TSD
 | | Human PI3K p85alpha/p110alpha bound to RLY-2608 | | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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5W9M
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5WKA
 | | Crystal structure of a GH1 beta-glucosidase retrieved from microbial metagenome of Poraque Amazon lake | | Descriptor: | Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Morais, M.A.B, Toyama, D, Ramos, F.C, Zanphorlin, L.M, Tonoli, C.C.C, Miranda, F.P, Ruller, R, Henrique-Silva, F, Murakami, M.T. | | Deposit date: | 2017-07-24 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A novel beta-glucosidase isolated from the microbial metagenome of Lake Poraque (Amazon, Brazil).
Biochim. Biophys. Acta, 1866, 2018
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2X2V
 | | Structural basis of a novel proton-coordination type in an F1Fo-ATP synthase rotor ring | | Descriptor: | ATP SYNTHASE SUBUNIT C, SODIUM ION, dodecyl 2-(trimethylammonio)ethyl phosphate | | Authors: | Preiss, L, Yildiz, O, Hicks, D.B, Krulwich, T.A, Meier, T. | | Deposit date: | 2010-01-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A New Type of Proton Coordination in an F(1)F(O)- ATP Synthase Rotor Ring.
Plos Biol., 8, 2010
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7YCA
 | | Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
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5W9J
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6D0J
 | | Crystal structure of a CLC-type fluoride/proton antiporter | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | | Deposit date: | 2018-04-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
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3M18
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5W9O
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6DWW
 | | Hermes transposase deletion dimer complex with (A/T) DNA and Mn2+ | | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*GP*AP*GP*AP*AP*CP*AP*AP*CP*AP*AP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), ... | | Authors: | Dyda, F, Voth, A.R, Hickman, A.B. | | Deposit date: | 2018-06-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | Structural insights into the mechanism of double strand break formation by Hermes, a hAT family eukaryotic DNA transposase.
Nucleic Acids Res., 46, 2018
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