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PDB: 89035 results

7D7S
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BU of 7d7s by Molmil
HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant
Descriptor: Protein Nef, Tyrosine-protein kinase Fyn
Authors:Aldehaiman, A, Shahul Hamed, U.F, Arold, S.T.
Deposit date:2020-10-05
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
4UN3
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BU of 4un3 by Molmil
Crystal structure of Cas9 bound to PAM-containing DNA target
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
Authors:Anders, C, Niewoehner, O, Duerst, A, Jinek, M.
Deposit date:2014-05-25
Release date:2014-07-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
7S5J
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BU of 7s5j by Molmil
Solution NMR structure of substrate bound peptidase domain from PCAT1
Descriptor: CtA peptide, Peptidase C39
Authors:Bhattacharya, S, Palillo, A.
Deposit date:2021-09-10
Release date:2021-12-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Protein Sci., 31, 2022
7D5D
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BU of 7d5d by Molmil
Left-handed G-quadruplex containing one bulge
Descriptor: 1xBulge-LHG4motif, POTASSIUM ION, SPERMINE
Authors:Das, P, Ngo, K.H, Winnerdy, F.R, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T.
Deposit date:2020-09-25
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
7D5E
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BU of 7d5e by Molmil
Left-handed G-quadruplex containing two bulges
Descriptor: 2xBulge-LHG4motif, POTASSIUM ION, SODIUM ION, ...
Authors:Das, P, Maity, A, Ngo, K.H, Winnerdy, F.R, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T.
Deposit date:2020-09-25
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
4UN5
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BU of 4un5 by Molmil
Crystal structure of Cas9 bound to PAM-containing DNA target containing mismatches at positions 1-3
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
Authors:Anders, C, Niewoehner, O, Duerst, A, Jinek, M.
Deposit date:2014-05-25
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
4UN4
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BU of 4un4 by Molmil
Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
Authors:Anders, C, Niewoehner, O, Duerst, A, Jinek, M.
Deposit date:2014-05-25
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.371 Å)
Cite:Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
6L9Z
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BU of 6l9z by Molmil
338 bp di-nucleosome assembled with linker histone H1.X
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (338-MER), ...
Authors:Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
Deposit date:2019-11-11
Release date:2021-02-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6LA2
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BU of 6la2 by Molmil
343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0
Descriptor: DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
Deposit date:2019-11-11
Release date:2021-02-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6L7Z
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BU of 6l7z by Molmil
Solution NMR structure of the N-terminal immunoglobulin variable domain of BTNL2
Descriptor: Butyrophilin-like protein 2
Authors:Basak, A.J, Lee, W, Samanta, D, De, S.
Deposit date:2019-11-03
Release date:2020-10-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Insights into N-terminal IgV Domain of BTNL2, a T Cell Inhibitory Molecule, Suggests a Non-canonical Binding Interface for Its Putative Receptors.
J.Mol.Biol., 432, 2020
7DCZ
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BU of 7dcz by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G.
Deposit date:2020-10-27
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
7DED
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BU of 7ded by Molmil
Mevo lectin complex with mannoheptose (Man7)
Descriptor: 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
Authors:Sivaji, N, Surolia, A, Vijayan, M.
Deposit date:2020-11-03
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.228 Å)
Cite:Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages.
Glycobiology, 31, 2021
4V8Z
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BU of 4v8z by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
4V5C
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BU of 4v5c by Molmil
Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA.
Descriptor: 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V.
Deposit date:2009-03-24
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome
Nat.Struct.Mol.Biol., 16, 2009
6QPP
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BU of 6qpp by Molmil
Rhizomucor miehei lipase propeptide complex, native
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase
Authors:Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S.
Deposit date:2019-02-14
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme.
Acs Omega, 4, 2019
6QPR
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BU of 6qpr by Molmil
Rhizomucor miehei lipase propeptide complex, Ser95/Ile96 deletion mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase
Authors:Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S.
Deposit date:2019-02-14
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme.
Acs Omega, 4, 2019
8G2N
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BU of 8g2n by Molmil
Crystal structure of Tetrahymena thermophila G-rich DNA with novel ligand PyDH2
Descriptor: 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium), G-rich DNA, MAGNESIUM ION, ...
Authors:Martin, K.N, Yatsunyk, L.A.
Deposit date:2023-02-06
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure of Tetrahymena thermophila G-rich DNA with novel ligand PyDH2
To be published
6D4S
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BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
8G9S
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BU of 8g9s by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: AcrIC8, Cas11, Cas5, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
8G9T
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BU of 8g9t by Molmil
Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications
Descriptor: AcrIC9, Cas11, Cas5, ...
Authors:Hu, C, Nam, K.H, Ke, A.
Deposit date:2023-02-22
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
1HZM
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BU of 1hzm by Molmil
STRUCTURE OF ERK2 BINDING DOMAIN OF MAPK PHOSPHATASE MKP-3: STRUCTURAL INSIGHTS INTO MKP-3 ACTIVATION BY ERK2
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 6
Authors:Farooq, A, Zhou, M.-M.
Deposit date:2001-01-25
Release date:2002-01-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of ERK2 binding domain of MAPK phosphatase MKP-3: structural insights into MKP-3 activation by ERK2.
Mol.Cell, 7, 2001
6WEM
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BU of 6wem by Molmil
Crimson 0.9
Descriptor: mCrimson 0.9
Authors:Ataie, N, Tran Tang, C, Sens, A, Lin, M.Z, Chu, J, Ng, H.L.
Deposit date:2020-04-02
Release date:2021-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crimson 0.9
To Be Published
8GIZ
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BU of 8giz by Molmil
E. coli clamp loader with open clamp
Descriptor: Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in E. coli
To Be Published
3KO7
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BU of 3ko7 by Molmil
DTD from Plasmodium falciparum in complex with D-Lysine
Descriptor: D-LYSINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
8GIY
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BU of 8giy by Molmil
E. coli clamp loader with closed clamp
Descriptor: Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in E. coli
To Be Published

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