5KT8
 
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7MQH
 | | Bartonella henselae NrnC complexed with pAAAGG in the presence of Ca2+. D4 Symmetry. | | Descriptor: | NanoRNase C, RNA (5'-R(P*AP*AP*AP*GP*G)-3') | | Authors: | Lormand, J.D, Brownfield, B, Fromme, J.C, Sondermann, H. | | Deposit date: | 2021-05-05 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
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2Y64
 | | Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-19 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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7MQF
 | | Bartonella henselae NrnC complexed with pAAAGG. D4 symmetry. | | Descriptor: | NanoRNase C, RNA (5'-R(P*AP*AP*AP*GP*G)-3') | | Authors: | Lormand, J.D, Brownfield, B, Fromme, J.C, Sondermann, H. | | Deposit date: | 2021-05-05 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
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2YOO
 | | Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... | | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | | Deposit date: | 2012-10-25 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway.
Environ.Microbiol., 15, 2013
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7MQE
 | | Bartonella henselae NrnC complexed with pAGG. C1 reconstruction. | | Descriptor: | NanoRNase C, RNA (5'-R(P*AP*GP*G)-3') | | Authors: | Lormand, J.D, Brownfield, B, Fromme, J.C, Sondermann, H. | | Deposit date: | 2021-05-05 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
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2YHE
 | | Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp. | | Descriptor: | SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION | | Authors: | Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G. | | Deposit date: | 2011-04-29 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
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7M5Z
 | | Crystal Structure of the MerTK Kinase Domain in Complex with Inhibitor MIPS15692 | | Descriptor: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | | Authors: | Hermans, S.J, Hancock, N.C, Baell, J.B, Parker, M.W. | | Deposit date: | 2021-03-25 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Development of [ 18 F]MIPS15692, a radiotracer with in vitro proof-of-concept for the imaging of MER tyrosine kinase (MERTK) in neuroinflammatory disease.
Eur.J.Med.Chem., 226, 2021
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4ZE8
 | | PBP AccA from A. tumefaciens C58 | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2015-04-20 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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7P81
 | | Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state) | | Descriptor: | ADEP2, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | | Deposit date: | 2021-07-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
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8BWC
 | | E. coli BAM complex (BamABCDE) wild-type | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Machin, J.M, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-12-06 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6WTX
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2L29
 | | Complex structure of E4 mutant human IGF2R domain 11 bound to IGF-II | | Descriptor: | Insulin-like growth factor 2 receptor variant, Insulin-like growth factor II | | Authors: | Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B. | | Deposit date: | 2010-08-13 | | Release date: | 2012-02-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution.
Science, 338, 2012
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2LDU
 | | Solution NMR Structure of Heat shock factor protein 1 DNA binding domain from homo sapiens, Northeast Structural Genomics Consortium Target HR3023C | | Descriptor: | Heat shock factor protein 1 | | Authors: | Liu, G, Xiao, R, Ciccosanti, C, Janjua, H, Acton, T.B, Lee, H, Wang, H.B, Huang, Y.B, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-06-01 | | Release date: | 2011-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Northeast Structural Genomics Consortium Target HR3023C
To be Published
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7M7H
 | | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1' | | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
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7M7G
 | | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 | | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
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8BV1
 | | Peptide inhibitor P4 in complex with ASF1 histone chaperone | | Descriptor: | GLYCEROL, Histone chaperone ASF1A, P4 peptide inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.834 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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7M7F
 | | 6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1 | | Descriptor: | 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... | | Authors: | Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
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7OZH
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5KYJ
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | Descriptor: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | | Authors: | Chen, G, McKeever, B.M. | | Deposit date: | 2016-07-21 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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6QRQ
 | | Apo conformation of chemotaxis sensor ODP | | Descriptor: | Oxygen-binding diiron protein | | Authors: | Muok, A.R, Crane, B.R. | | Deposit date: | 2019-02-19 | | Release date: | 2019-06-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.562 Å) | | Cite: | A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4ZQB
 | | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-08 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate
to be published
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7OZG
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5L70
 | | 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-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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