2K4L
 
 | | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | | Descriptor: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | | Authors: | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | | Deposit date: | 2008-06-13 | | Release date: | 2008-10-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
Biochemistry, 47, 2008
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1ERI
 | | X-RAY STRUCTURE OF THE DNA-ECO RI ENDONUCLEASE-DNA RECOGNITION COMPLEX: THE RECOGNITION NETWORK AND THE INTEGRATION OF RECOGNITION AND CLEAVAGE | | Descriptor: | DNA (5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ECO RI ENDONUCLEASE (E.C.3.1.21.4)) | | Authors: | Kim, Y, Grable, J.C, Love, R, Greene, P.J, Rosenberg, J.M. | | Deposit date: | 1994-05-18 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Refinement of Eco RI endonuclease crystal structure: a revised protein chain tracing.
Science, 249, 1990
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1ZNJ
 | | INSULIN, MONOCLINIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, INSULIN, PHENOL, ... | | Authors: | Turkenburg, M.G.W, Whittingham, J.L, Turkenburg, J.P, Dodson, G.G, Derewenda, U, Smith, G.D, Dodson, E.J, Derewenda, Z.S, Xiao, B. | | Deposit date: | 1997-09-23 | | Release date: | 1998-01-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure Determination and Refinement of Two Crystal Forms of Native Insulins
To be Published
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1E6D
 | | PHOTOSYNTHETIC REACTION CENTER MUTANT WITH TRP M115 REPLACED WITH PHE (CHAIN M, WM115F) PHE M197 REPLACED WITH ARG (CHAIN M, FM197R) | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Ridge, J.P, Fyfe, P.K, McAuley, K.E, Van Brederode, M.E, Robert, B, Van Grondelle, R, Isaacs, N.W, Cogdell, R.J, Jones, M.R. | | Deposit date: | 2000-08-11 | | Release date: | 2000-10-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Examination of How Structural Changes Can Affect the Rate of Electron Transfer in a Mutated Bacterial Photoreaction Centre
Biochem.J., 351, 2000
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3U8H
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-17 | | Release date: | 2012-10-17 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3U8D
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-16 | | Release date: | 2012-10-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3TS1
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8TQ0
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2MM3
 | | Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate | | Descriptor: | GLYCOCHENODEOXYCHOLIC ACID, GLYCOCHOLIC ACID, Gastrotropin | | Authors: | Horvath, G, Egyed, O, Bencsura, A, Simon, A, Tochtrop, G.P, DeKoster, G.T, Covey, D.F, Cistola, D.P, Toke, O. | | Deposit date: | 2014-03-07 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR
FEBS J., 283, 2016
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3M7S
 | | Crystal structure of the complex of xylanase GH-11 and alpha amylase inhibitor protein with cellobiose at 2.4 A resolution | | Descriptor: | ACETATE ION, Haementhin, PHOSPHATE ION, ... | | Authors: | Kumar, S, Dube, D, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-03-17 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure determination and inhibition studies of a novel xylanase and alpha-amylase inhibitor protein (XAIP) from Scadoxus multiflorus.
Febs J., 277, 2010
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8TWU
 | | Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro | | Descriptor: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M. | | Deposit date: | 2023-08-21 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization.
J.Am.Chem.Soc., 145, 2023
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5DS6
 | | Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA with splayed ends | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | | Authors: | Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A. | | Deposit date: | 2015-09-16 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.352 Å) | | Cite: | Foreign DNA capture during CRISPR-Cas adaptive immunity.
Nature, 527, 2015
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5DVP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2015-09-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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8EOM
 | | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 | | Descriptor: | 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ... | | Authors: | The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-03 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
to be published
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7YHE
 | | Crystal structure of the triple mutant CmnC-L136Q,S138G,D249Y in complex with alpha-KG | | Descriptor: | 2-OXOGLUTARIC ACID, CmnC, FE (III) ION, ... | | Authors: | Huang, S.J, Hsiao, Y.H, Lin, E.C, Hsiao, P.Y, Chang, C.Y. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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8HQY
 | | Cryo-EM structure of SSX1 bound to the H2AK119Ub nucleosome at a resolution of 3.05 angstrom | | Descriptor: | DNA (136-MER), DNA (137-MER), Histone H2A type 1-B/E, ... | | Authors: | Zebin, T, Ai, H.S, Ziyu, X, GuoChao, C, Man, P, Liu, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-09-27 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes.
Nat.Struct.Mol.Biol., 31, 2024
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8P8J
 | | Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | | Authors: | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | | Deposit date: | 2023-06-01 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
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6DVH
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1HXU
 | | OMPF PORIN MUTANT KK | | Descriptor: | OUTER MEMBRANE PROTEIN F | | Authors: | Phale, P.S, Philippsen, A, Widmer, C, Phale, V.P, Rosenbusch, J.P, Schirmer, T. | | Deposit date: | 2001-01-17 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Role of charged residues at the OmpF porin channel constriction probed by mutagenesis and simulation.
Biochemistry, 40, 2001
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8EEQ
 | | CryoEM structures of bAE1 captured in multiple states. | | Descriptor: | Anion exchange protein | | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2022-09-07 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
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6DVR
 | | Crystal structure of human CARM1 with (R)-SKI-72 | | Descriptor: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-25 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of human CARM1 with (R)-SKI-72
to be published
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6H9A
 | | Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine. | | Descriptor: | CHLORIDE ION, N,N,N-trimethyl-histidine, SODIUM ION, ... | | Authors: | Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. | | Deposit date: | 2018-08-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.831 Å) | | Cite: | Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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5E38
 | | Structural basis of mapping the spontaneous mutations with 5-flourouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis | | Descriptor: | Uracil phosphoribosyltransferase | | Authors: | Ghode, P, Jobichen, C, Ramachandran, S, Bifani, P, Sivaraman, J. | | Deposit date: | 2015-10-02 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of mapping the spontaneous mutations with 5-flurouracil in uracil phosphoribosyltransferase from Mycobacterium tuberculosis
Biochem.Biophys.Res.Commun., 467, 2015
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154D
 | | DNA DISTORTION IN BIS-INTERCALATED COMPLEXES | | Descriptor: | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE, DNA (5'-D(*(CBR)P*GP*CP*G)-3') | | Authors: | Peek, M.E, Lipscomb, L.A, Bertrand, J.A, Gao, Q, Roques, B.P, Garbay-Jaureguiberry, C, Williams, L.D. | | Deposit date: | 1993-12-14 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA distortion in bis-intercalated complexes.
Biochemistry, 33, 1994
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3UKC
 | | (S)-cEt-BNA decamer structure | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3') | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-11-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs.
Chem.Commun.(Camb.), 48, 2012
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