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2L3R
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BU of 2l3r by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3
Authors:Nady, N, Lemak, A, Fares, C, Gutmanas, A, Avvakumov, G, Xue, S, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2010-09-21
Release date:2011-04-13
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Recognition of Multivalent Histone States Associated with Heterochromatin by UHRF1 Protein.
J.Biol.Chem., 286, 2011
5ZRO
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BU of 5zro by Molmil
M. smegmatis antimutator protein MutT2 in complex with 5mdCTP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase
Authors:Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
Deposit date:2018-04-24
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
6RS3
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2'-F-riboguanosine modified G-quadruplex with V-loop
Descriptor: F1415
Authors:Haase, L, Weisz, K.
Deposit date:2019-05-21
Release date:2019-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sugar Puckering Drives G-Quadruplex Refolding: Implications for V-Shaped Loops.
Chemistry, 26, 2020
3V9R
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BU of 3v9r by Molmil
Crystal structure of Saccharomyces cerevisiae MHF complex
Descriptor: SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A
Authors:Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J.
Deposit date:2011-12-28
Release date:2012-02-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer
Structure, 20, 2012
6US2
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BU of 6us2 by Molmil
MTH1 in complex with compound 5
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.80012655 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US3
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BU of 6us3 by Molmil
MTH1 in complex with compound 4
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47028923 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US4
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BU of 6us4 by Molmil
MTH1 in complex with compound 32
Descriptor: 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95032907 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
3I2R
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BU of 3i2r by Molmil
Crystal structure of the hairpin ribozyme with a 2',5'-linked substrate with N1-deazaadenosine at position A9
Descriptor: 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*GP*U)-3', 5'-R(*UP*CP*GP*UP*GP*GP*UP*AP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3', COBALT HEXAMMINE(III), ...
Authors:Wedekind, J.E, Spitale, R.C, Krucinska, J.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-atom imino substitutions at A9 and A10 reveal distinct effects on the fold and function of the hairpin ribozyme catalytic core.
Biochemistry, 48, 2009
3IFM
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BU of 3ifm by Molmil
PF1 FILAMENTOUS BACTERIOPHAGE: REFINEMENT OF A MOLECULAR MODEL BY SIMULATED ANNEALING USING 3.3 ANGSTROMS RESOLUTION X-RAY FIBRE DIFFRACTION DATA
Descriptor: PF1 FILAMENTOUS BACTERIOPHAGE
Authors:Marvin, D.A.
Deposit date:1994-01-16
Release date:1996-01-01
Last modified:2024-02-21
Method:FIBER DIFFRACTION (3.3 Å)
Cite:Pf1 filamentous bacteriophage: refinement of a molecular model by simulated annealing using 3.3 A resolution X-ray fibre diffraction data.
Acta Crystallogr.,Sect.D, 51, 1995
6UXF
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BU of 6uxf by Molmil
Structure of V. metoecus NucC, hexamer form
Descriptor: Vibrio meotecus sp. RC341 NucC
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-11-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
6UXG
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BU of 6uxg by Molmil
Structure of V. metoecus NucC, trimer form
Descriptor: SULFATE ION, Vibrio metoecus sp. RC341 NucC
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-11-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
6SUU
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BU of 6suu by Molmil
NMR structure of KRAS32R G9T conformer G-quadruplex within KRAS promoter region
Descriptor: KRAS32R G9T, POTASSIUM ION
Authors:Marquevielle, J, Salgado, G.
Deposit date:2019-09-16
Release date:2020-02-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of two G-quadruplexes in equilibrium in the KRAS promoter.
Nucleic Acids Res., 48, 2020
6T51
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BU of 6t51 by Molmil
NMR structure of KRAS22RT G-quadruplex forming within KRAS promoter region at physological temperature
Descriptor: KRAS22RT, POTASSIUM ION
Authors:Marquevielle, J, Salgado, G.
Deposit date:2019-10-15
Release date:2019-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H,13C, and15N chemical shift assignments of a G-quadruplex forming sequence within the KRAS proto-oncogene promoter region.
Biomol.Nmr Assign., 12, 2018
4B6C
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BU of 4b6c by Molmil
Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide
Descriptor: 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION
Authors:Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S.
Deposit date:2012-08-09
Release date:2013-01-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis.
ACS Chem. Biol., 8, 2013
8D49
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BU of 8d49 by Molmil
Structure of Cas12a2 binary complex
Descriptor: OrfB_Zn_ribbon domain-containing protein, RNA (26-MER)
Authors:Bravo, J.P.K, Taylor, D.W.
Deposit date:2022-06-01
Release date:2023-01-18
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:RNA targeting unleashes indiscriminate nuclease activity of CRISPR-Cas12a2.
Nature, 613, 2023
8D4B
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BU of 8d4b by Molmil
Structure of Cas12a2 ternary complex
Descriptor: OrfB_Zn_ribbon domain-containing protein, RNA (28-MER), RNA (41-MER)
Authors:Bravo, J.P.K, Taylor, D.W.
Deposit date:2022-06-01
Release date:2023-01-18
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:RNA targeting unleashes indiscriminate nuclease activity of CRISPR-Cas12a2.
Nature, 613, 2023
1NXW
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BU of 1nxw by Molmil
MicArec pH 5.1
Descriptor: ACETIC ACID, DNA-binding response regulator
Authors:Bent, C.J, Isaacs, N.W, Mitchell, T.J, Riboldi-Tunnicliffe, A.
Deposit date:2003-02-11
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of the response regulator 02 receiver domain, the essential YycF two-component system of Streptococcus pneumoniae in both complexed and native states.
J.Bacteriol., 186, 2004
6ZQB
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BU of 6zqb by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state B2
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
2KMT
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BU of 2kmt by Molmil
NMR solution structure of Vibrio fischeri CcdB
Descriptor: CcdB
Authors:Zangger, K.
Deposit date:2009-08-04
Release date:2009-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Characterization of Vibrio fischeri CcdB.
J.Biol.Chem., 285, 2010
1R1K
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BU of 1r1k by Molmil
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Billas, I.M.L, Iwema, T, Garnier, J.-M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2003-09-24
Release date:2003-11-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor.
Nature, 426, 2003
1R6N
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BU of 1r6n by Molmil
HPV11 E2 TAD complex crystal structure
Descriptor: 2-METHYL-PROPIONIC ACID, DIMETHYL SULFOXIDE, HPV11 REGULATORY PROTEIN E2, ...
Authors:Wang, Y, Coulombe, R.
Deposit date:2003-10-15
Release date:2004-02-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the E2 Transactivation Domain of Human Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
J.Biol.Chem., 279, 2004
3I2S
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BU of 3i2s by Molmil
Crystal structure of the hairpin ribozyme with a 2'OMe substrate and N1-deazaadenosine at position A10
Descriptor: 5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*GP*U)-3', 5'-R(*UP*CP*GP*UP*GP*GP*UP*AP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3', COBALT HEXAMMINE(III), ...
Authors:Wedekind, J.E, Spitale, R.C, Krucinska, J.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Single-atom imino substitutions at A9 and A10 reveal distinct effects on the fold and function of the hairpin ribozyme catalytic core.
Biochemistry, 48, 2009
3I2Q
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BU of 3i2q by Molmil
Crystal structure of the hairpin ribozyme with 2'OMe substrate strand and N1-deazaadenosine at position A9
Descriptor: 5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*GP*U)-3', 5'-R(*UP*CP*GP*UP*GP*GP*UP*AP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3', COBALT HEXAMMINE(III), ...
Authors:Wedekind, J.E, Spitale, R.C, Krucinska, J.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Single-atom imino substitutions at A9 and A10 reveal distinct effects on the fold and function of the hairpin ribozyme catalytic core.
Biochemistry, 48, 2009
3I2U
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BU of 3i2u by Molmil
Crystal structure of the haiprin ribozyme with a 2',5'-linked substrate and N1-deazaadenosine at position A10
Descriptor: 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*GP*U)-3', 5'-R(*UP*CP*GP*UP*GP*GP*UP*AP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3', COBALT HEXAMMINE(III), ...
Authors:Wedekind, J.E, Spitale, R.C, Krucinska, J.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-atom imino substitutions at A9 and A10 reveal distinct effects on the fold and function of the hairpin ribozyme catalytic core.
Biochemistry, 48, 2009
3UM4
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BU of 3um4 by Molmil
X-ray Diffraction Studies of Ring Crystals obtained for d(CACGCG).d(CGCGTG): Stage (i) Hexagonal plates
Descriptor: 6-mer DNA
Authors:Mandal, P.K, Venkadesh, S, Gautham, N.
Deposit date:2011-11-12
Release date:2012-07-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Ring crystals of oligonucleotides: Growth stages and X-ray diffraction studies
J.Cryst.Growth, 354, 2012

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