1D39
 
 | | COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2 | | Descriptor: | COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION | | Authors: | Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S. | | Deposit date: | 1991-05-07 | | Release date: | 1992-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
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6O59
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1D19
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6IAH
 | | Phosphatase Tt82 from Thermococcus thioreducens | | Descriptor: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | | Authors: | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | | Deposit date: | 2018-11-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity.
Acta Crystallogr D Struct Biol, 75, 2019
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1CQT
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX CONTAINING AN OCA-B PEPTIDE, THE OCT-1 POU DOMAIN, AND AN OCTAMER ELEMENT | | Descriptor: | DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), POU DOMAIN, ... | | Authors: | Chasman, D.I, Cepek, K, Sharp, P.A, Pabo, C.O. | | Deposit date: | 1999-08-11 | | Release date: | 1999-11-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of an OCA-B peptide bound to an Oct-1 POU domain/octamer DNA complex: specific recognition of a protein-DNA interface.
Genes Dev., 13, 1999
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6U2M
 | | Crystal structure of a HaloTag-based calcium indicator, HaloCaMP V2, bound to JF635 | | Descriptor: | (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Deo, C, Schreiter, E.R. | | Deposit date: | 2019-08-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
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6UJX
 | | HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP | | Descriptor: | DNA primer, DNA template, MAGNESIUM ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-03 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.70451212 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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1D18
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1CGF
 | | CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF | | Descriptor: | CALCIUM ION, FIBROBLAST COLLAGENASE, ZINC ION | | Authors: | Lovejoy, B, Hassell, A.M, Luther, M.A, Weigl, D, Jordan, S.R. | | Deposit date: | 1994-02-03 | | Release date: | 1995-03-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
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8ABS
 | | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | | Deposit date: | 2022-07-04 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
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8ABR
 | | Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | | Descriptor: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | | Deposit date: | 2022-07-04 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
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1XUT
 | | Solution structure of TACI-CRD2 | | Descriptor: | Tumor necrosis factor receptor superfamily member 13B | | Authors: | Hymowitz, S.G, Patel, D.R, Wallweber, H.J, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A. | | Deposit date: | 2004-10-26 | | Release date: | 2004-11-09 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structures of APRIL-receptor complexes: like BCMA, TACI employs only a single cysteine-rich domain for high affinity ligand binding.
J.Biol.Chem., 280, 2005
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5MG1
 | | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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6UJY
 | | HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP | | Descriptor: | Lamivudine Triphosphate, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-03 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.59456086 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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5JRD
 | | E. coli Hydrogenase-1 variant P508A | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A. | | Deposit date: | 2016-05-06 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase.
Biochemistry, 56, 2017
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8U7E
 | | Structure of Sts-1 HP domain with rebamipide derivative | | Descriptor: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B | | Authors: | Aziz, F, Dey, R, French, J.B. | | Deposit date: | 2023-09-15 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
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7OL9
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8FM6
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8DVH
 | | Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA) | | Descriptor: | Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION | | Authors: | Sekula, B, Li, M, Gustchina, A, Wlodawer, A. | | Deposit date: | 2022-07-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases.
Int J Mol Sci, 23, 2022
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6I3S
 | | Crystal structure of MDM2 in complex with compound 13. | | Descriptor: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | Authors: | Bader, G, Kessler, D. | | Deposit date: | 2018-11-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
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6UOE
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1DP7
 | | COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ... | | Authors: | Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K. | | Deposit date: | 1999-12-23 | | Release date: | 2000-03-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.
Nature, 403, 2000
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7P4R
 | | Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K | | Descriptor: | ETHANOL, Ribonuclease pancreatic, SULFATE ION | | Authors: | Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
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8BG0
 | | Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2022-10-27 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (1.99 Å) | | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
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8GCC
 | | T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1 | | Descriptor: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2 | | Authors: | Schenk, A, Deniston, C, Noeske, J. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections.
Science, 380, 2023
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