9BHR
 
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
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4P8T
 | | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 | | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Neres, J, Pojer, F, Cole, S.T. | | Deposit date: | 2014-04-01 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
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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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9C0Z
 | | Clathrin terminal domain complexed with pitstop 2d | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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4P2M
 | | Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 1 | | Descriptor: | Adenylate cyclase, DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | | Deposit date: | 2014-03-04 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Iucrj, 1, 2014
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4P97
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9G7H
 | | Human Sirt6 in complex with ADP-ribose and the inhibitor 2-Pr | | Descriptor: | 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2024-07-21 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Elucidating the Unconventional Binding Mode of a DNA-Encoded Library Hit Provides a Blueprint for Sirtuin 6 Inhibitor Development.
Chemmedchem, 2024
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4P3K
 | | Structure of ancestral PyrR protein (PLUMPyrR) | | Descriptor: | Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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9GBE
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4PA1
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9B7F
 | | S_SAD structure of HEWL using lossless default compression | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
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4PCQ
 | | Crystal Structure of MtbAldR (Rv2779c) | | Descriptor: | Possible transcriptional regulatory protein (Probably Lrp/AsnC-family) | | Authors: | Dey, A, Ramachandran, R. | | Deposit date: | 2014-04-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of MtbAldR
To be published
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4PAC
 | | Crystal Structure of Histidine-containing Phosphotransfer Protein AHP2 from Arabidopsis thaliana | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidine-containing phosphotransfer protein 2, IMIDAZOLE | | Authors: | Degtjarik, O, Dopitova, R, Puehringer, S, Weiss, M.S, Janda, L, Hejatko, J, Kuta-Smatanova, I. | | Deposit date: | 2014-04-08 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structure of AHP2 from Arabidopsis thaliana
To Be Published
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8QKF
 | | SmtB protein of Mycobacterium smegmatis | | Descriptor: | ArsR family transcriptional regulator | | Authors: | Potocki, S, Pyra, A, Nowak, E, Rola, A, Plaskowka, K, Trojanowski, D, Holowka, J, Pasikowski, P, Gumienna-Kontecka, E, Zakrzewska-Czerwinska, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | SmtB protein of Mycobacterium smegmatis
To Be Published
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4P4I
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8Z8M
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4P52
 | | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. | | Descriptor: | Homoserine kinase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-03-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717.
to be published
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9B7E
 | | S_SAD structure of HEWL using lossy compression data with a compression ratio of 422 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
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9BDX
 | | NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA | | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65 | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | | Deposit date: | 2024-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4P5K
 | | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergy and Autoimmunity | | Descriptor: | HLA class II histocompatibility antigen, DP alpha 1 chain, RAS peptide,HLA class II histocompatibility antigen, ... | | Authors: | Clayton, G.M, Wang, Y, Crawford, F, Novikov, A, Wimberly, B.T, Kieft, J.S, Falta, M.T, Bowerman, N.A, Marrack, P, Fontenot, A.P, Dai, S, Kappler, J.W. | | Deposit date: | 2014-03-17 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
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4P66
 | | Electrostatics of Active Site Microenvironments of E. coli DHFR | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2014-03-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
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8YEL
 | | Cryo-EM structure of the channelrhodopsin GtCCR4 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cation channel rhodopsin 4, RETINAL | | Authors: | Tanaka, T, Iida, W, Sano, F.K, Oda, K, Shihoya, W, Nureki, O. | | Deposit date: | 2024-02-22 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | The high-light-sensitivity mechanism and optogenetic properties of the bacteriorhodopsin-like channelrhodopsin GtCCR4.
Mol.Cell, 2024
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4P6A
 | | Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose | | Descriptor: | Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A. | | Deposit date: | 2014-03-23 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
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4PBV
 | | Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform, ... | | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | | Deposit date: | 2014-04-14 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
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6N1C
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