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5TII
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BU of 5tii by Molmil
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Descriptor: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Valentic, T.R, Tsai, S.C, Brady, S.F.
Deposit date:2016-10-03
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis.
ACS Chem. Biol., 11, 2016
8QO5
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BU of 8qo5 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: SARS-CoV-2-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 2024
8QO4
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BU of 8qo4 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: MERS-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 2024
8QO3
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BU of 8qo3 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: RoBat-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-28
Release date:2024-03-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 2024
8QO2
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BU of 8qo2 by Molmil
Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes
Descriptor: OC43-CoV-SL5
Authors:Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M.
Deposit date:2023-09-27
Release date:2024-03-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes.
Nucleic Acids Res., 2024
4RGW
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BU of 4rgw by Molmil
Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID
Descriptor: GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7
Authors:Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N.
Deposit date:2014-09-30
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014
4UAQ
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BU of 4uaq by Molmil
Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis
Descriptor: Protein translocase subunit SecA 2
Authors:Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-08-11
Release date:2015-09-09
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2.
J.Bacteriol., 198, 2015
4V69
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BU of 4v69 by Molmil
Ternary complex-bound E.coli 70S ribosome.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
7MX1
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BU of 7mx1 by Molmil
PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog
Descriptor: ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
Deposit date:2021-05-17
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles.
Org.Biomol.Chem., 19, 2021
1JTT
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BU of 1jtt by Molmil
Degenerate interfaces in antigen-antibody complexes
Descriptor: FORMIC ACID, Lysozyme, SODIUM ION, ...
Authors:Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L.
Deposit date:2001-08-22
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
1JTO
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BU of 1jto by Molmil
Degenerate interfaces in antigen-antibody complexes
Descriptor: Lysozyme, Vh Single-Domain Antibody
Authors:Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L.
Deposit date:2001-08-21
Release date:2001-10-31
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
1JTP
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BU of 1jtp by Molmil
Degenerate interfaces in antigen-antibody complexes
Descriptor: FORMIC ACID, LYSOZYME C, SODIUM ION, ...
Authors:Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L.
Deposit date:2001-08-21
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
1JUL
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BU of 1jul by Molmil
INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A SECOND ORTHORHOMBIC CRYSTAL FORM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
Authors:Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N.
Deposit date:1996-05-03
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
1JUK
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BU of 1juk by Molmil
INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A TRIGONAL CRYSTAL FORM
Descriptor: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION
Authors:Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N.
Deposit date:1996-05-03
Release date:1997-07-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
1MV2
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BU of 1mv2 by Molmil
The tandem, Face-to-Face AP Pairs in 5'(rGGCAPGCCU)2
Descriptor: 5'-R(*GP*GP*CP*AP*(P5P)P*GP*CP*CP*U)-3'
Authors:Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H.
Deposit date:2002-09-24
Release date:2002-12-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2
Biochemistry, 41, 2002
1MV6
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BU of 1mv6 by Molmil
The tandem, Sheared PP Pairs in 5'(rGGCPPGCCU)2
Descriptor: 5'-R(*GP*GP*CP*(P5P)P*(P5P)P*GP*CP*CP*U)-3'
Authors:Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H.
Deposit date:2002-09-24
Release date:2002-12-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2
Biochemistry, 41, 2002
1MUV
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BU of 1muv by Molmil
Sheared A(anti)-A(anti) Base Pairs in a Destabilizing 2x2 Internal Loop: The NMR Structure of 5'(rGGCAAGCCU)2
Descriptor: 5'-R(*GP*GP*CP*AP*AP*GP*CP*CP*U)-3'
Authors:Znosko, B.M, Burkard, M.E, Schroeder, S.J, Krugh, T.R, Turner, D.H.
Deposit date:2002-09-24
Release date:2002-12-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Sheared Aanti-Aanti Base Pairs in a Destabilizing 2x2 Internal Loop: The NMR Structure of 5'(rGGCAAGCCU)2
Biochemistry, 41, 2002
1MV1
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BU of 1mv1 by Molmil
The Tandem, Sheared PA Pairs in 5'(rGGCPAGCCU)2
Descriptor: 5'-R(*GP*GP*CP*(P5P)P*AP*GP*CP*CP*U)-3'
Authors:Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H.
Deposit date:2002-09-24
Release date:2002-12-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2
Biochemistry, 41, 2002
8UPT
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BU of 8upt by Molmil
Candidatus Methanomethylophilus alvus tRNAPyl in A-site of ribosome
Descriptor: RNA (71-MER)
Authors:Krahn, N, Zhang, J, Melnikov, S.V, Tharp, J.M, Villa, A, Patel, A, Howard, R.J, Gabir, H, Patel, T.R, Stetefeld, J, Puglisi, J, Soll, D.
Deposit date:2023-10-23
Release date:2024-01-10
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut.
Nucleic Acids Res., 52, 2024
8QQ3
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BU of 8qq3 by Molmil
Streptavidin with a Ni-cofactor
Descriptor: 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin
Authors:Zhang, K, Jakob, R.P, Ward, T.R.
Deposit date:2023-10-03
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An artificial nickel chlorinase based on the biotin-streptavidin technology.
Chem.Commun.(Camb.), 60, 2024
8CW2
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BU of 8cw2 by Molmil
Crystal structure of TDP1 complexed with compound XZ760
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8CVQ
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BU of 8cvq by Molmil
Crystal structure of TDP1 complexed with compound XZ761
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
3V39
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BU of 3v39 by Molmil
Bd3459, A Predatory Peptidoglycan Endopeptidase from Bdellovibrio bacteriovorus
Descriptor: 2-AMINOETHANESULFONIC ACID, D-alanyl-D-alanine carboxypeptidase, SULFATE ION, ...
Authors:Lovering, A.L, Lerner, T.R, Sockett, R.E.
Deposit date:2011-12-13
Release date:2012-02-22
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Specialized peptidoglycan hydrolases sculpt the intra-bacterial niche of predatory Bdellovibrio and increase population fitness.
Plos Pathog., 8, 2012
6MJ5
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BU of 6mj5 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ519
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
Deposit date:2018-09-20
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6N19
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BU of 6n19 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ578
Descriptor: 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
Deposit date:2018-11-08
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019

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