5W9R
 
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 | | Descriptor: | 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | | Deposit date: | 2017-06-23 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published
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4QYR
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 | | Descriptor: | ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4RE2
 | | Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | | Deposit date: | 2014-09-21 | | Release date: | 2015-09-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
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5UZA
 | | Adenine riboswitch aptamer domain labelled with iodo-uridine by position-selective labelling of RNA (PLOR) | | Descriptor: | ADENINE, MAGNESIUM ION, RNA (71-MER) | | Authors: | Liu, Y, Stagno, J.R, Wang, Y.-X. | | Deposit date: | 2017-02-25 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Incorporation of isotopic, fluorescent, and heavy-atom-modified nucleotides into RNAs by position-selective labeling of RNA.
Nat Protoc, 13, 2018
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5WS6
 | | Native XFEL structure of Photosystem II (preflash two-flash dataset | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2016-12-05 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
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1P9S
 | | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab | | Authors: | Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2003-05-12 | | Release date: | 2003-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
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5WCD
 | | Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 04-1D02 Fab. | | Descriptor: | PHOSPHATE ION, SULFATE ION, VRC315 04-1D02 Fab Heavy chain, ... | | Authors: | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | | Deposit date: | 2017-06-29 | | Release date: | 2017-08-23 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (1.814 Å) | | Cite: | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
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4POY
 | | Engineered Dual Specific VHH antibody | | Descriptor: | VHH-metal | | Authors: | Fanning, S.W, Walter, R, Horn, J.R. | | Deposit date: | 2014-02-26 | | Release date: | 2014-09-24 | | Last modified: | 2014-10-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
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4PPT
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1ONH
 | | GC1 beta-lactamase with a penem inhibitor | | Descriptor: | 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase | | Authors: | Nukaga, M, Nukaga, K, Knox, J.R. | | Deposit date: | 2003-02-27 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
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4PLY
 | | Crystal structure of ancestral apicomplexan malate dehydrogenase with malate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRUVIC ACID, malate dehydrogenase | | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | Deposit date: | 2014-05-19 | | Release date: | 2014-07-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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5WCH
 | | Crystal structure of the catalytic domain of human USP9X | | Descriptor: | Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-30 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DIG
 | | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
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5UW3
 | | PCY1 in Complex with Follower Peptide | | Descriptor: | CACODYLATE ION, Peptide cyclase 1, Presegetalin A1 | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2017-02-20 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V9P
 | | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5UZW
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1N42
 | | Crystal Structure of Annexin V R149E Mutant | | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces
J.Biol.Chem., 278, 2003
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1MQV
 | | Crystal Structure of the Q1A/F32W/W72F mutant of Rhodopseudomonas palustris cytochrome c' (prime) expressed in E. coli | | Descriptor: | CYTOCHROME C', HEME C | | Authors: | Lee, J.C, Engman, K.C, Tezcan, F.A, Gray, H.B, Winkler, J.R. | | Deposit date: | 2002-09-17 | | Release date: | 2002-11-20 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Features of Cytochrome c' Folding Intermediates Revealed by Fluorescence Energy-Transfer Kinetics
Proc.Natl.Acad.Sci.USA, 99, 2002
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5SV4
 | | Anti-Ricin A-chain Single Domain Antibody A3C8 | | Descriptor: | SULFATE ION, Single Domain Antibody A3C8 | | Authors: | Compton, J.R, Legler, P.M. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
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5SZX
 | | Epstein-Barr virus Zta DNA binding domain homodimer in complex with methylated DNA | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*GP*(5CM)P*GP*AP*TP*GP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*CP*AP*TP*(5CM)P*GP*CP*TP*CP*AP*GP*TP*GP*CP*T)-3'), PHOSPHATE ION, ... | | Authors: | Hong, S, Horton, J.R, Cheng, X. | | Deposit date: | 2016-08-15 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
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6A2W
 | | Crystal structure of fucoxanthin chlorophyll a/c complex from Phaeodactylum tricornutum | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W, Yu, L.J, Kuang, T.Y, Shen, J.R. | | Deposit date: | 2018-06-13 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for blue-green light harvesting and energy dissipation in diatoms.
Science, 363, 2019
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6DFI
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4RTS
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1M94
 | | Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1 | | Descriptor: | Protein YNR032c-a | | Authors: | Ramelot, T.A, Cort, J.R, Yee, A.A, Semesi, A, Edwards, A.M, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-07-26 | | Release date: | 2002-12-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1
J.STRUCT.FUNCT.GENOM., 4, 2003
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1ML9
 | | Structure of the Neurospora SET domain protein DIM-5, a histone lysine methyltransferase | | Descriptor: | Histone H3 methyltransferase DIM-5, UNKNOWN, ZINC ION | | Authors: | Zhang, X, Tamaru, H, Khan, S.I, Horton, J.R, Keefe, L.J, Selker, E.U, Cheng, X. | | Deposit date: | 2002-08-30 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the Neurospora SET domain protein DIM-5,
a histone H3 lysine methyltransferase
Cell(Cambridge,Mass.), 111, 2002
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