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3CJ4
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BU of 3cj4 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Antonysamy, s.s.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
7NM1
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BU of 7nm1 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126
Descriptor: 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-23
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NM9
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BU of 7nm9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110
Descriptor: 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-23
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8ILX
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BU of 8ilx by Molmil
mCherry-LaM3 complex
Descriptor: LAM3, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
7S9Y
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BU of 7s9y by Molmil
Helicobacter Hepaticus CcsBA Open Conformation
Descriptor: Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE
Authors:Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G.
Deposit date:2021-09-21
Release date:2021-12-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
3CKI
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BU of 3cki by Molmil
Crystal structure of the TACE-N-TIMP-3 complex
Descriptor: ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ...
Authors:Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W.
Deposit date:2008-03-15
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex.
J.Mol.Biol., 381, 2008
7NK3
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BU of 7nk3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128
Descriptor: 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-17
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8IM1
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BU of 8im1 by Molmil
mCherry-LaM1 complex
Descriptor: LaM1, MCherry fluorescent protein, SULFATE ION
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8C8U
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BU of 8c8u by Molmil
Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin
Descriptor: Isoleucine--tRNA ligase, L(+)-TARTARIC ACID, MUPIROCIN, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Gruic-Sovulj, I, Ban, N.
Deposit date:2023-01-21
Release date:2023-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
7NLA
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BU of 7nla by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-119
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-22
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8C9G
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BU of 8c9g by Molmil
Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with mupirocin
Descriptor: CHLORIDE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-22
Release date:2023-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
8CEA
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BU of 8cea by Molmil
Cytochrome c maturation complex CcmABCD, E154Q
Descriptor: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
Authors:Ilcu, L, Zhang, L, Einsle, O.
Deposit date:2023-02-01
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
8CBQ
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BU of 8cbq by Molmil
structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Novacek, J, Veverka, V.
Deposit date:2023-01-25
Release date:2023-09-06
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
Descriptor: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022
5XSG
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BU of 5xsg by Molmil
Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED
Descriptor: RNA-binding protein FUS
Authors:Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
Deposit date:2017-06-14
Release date:2018-04-04
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.73 Å)
Cite:Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
8C8W
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BU of 8c8w by Molmil
Priestia megaterium mupirocin hyper-resistant HIGH motif mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue
Descriptor: D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-21
Release date:2023-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
7NJ9
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BU of 7nj9 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133
Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
Descriptor: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
Authors:Liu, S.M, Wang, J.
Deposit date:2023-02-17
Release date:2023-07-12
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (7.09 Å)
Cite:Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
7NJB
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BU of 7njb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132
Descriptor: 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8CE1
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BU of 8ce1 by Molmil
Cytochrome c maturation complex CcmABCD
Descriptor: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
Authors:Ilcu, L, Zhang, L, Einsle, O.
Deposit date:2023-02-01
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
4PN7
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BU of 4pn7 by Molmil
Crystal Structure of the TFIIH p34 N-terminal Domain
Descriptor: Putative transcription factor
Authors:Schmitt, D.R, Kuper, J, Elias, A, Kisker, C.
Deposit date:2014-05-23
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The Structure of the TFIIH p34 Subunit Reveals a Von Willebrand Factor A Like Fold.
Plos One, 9, 2014
3LX1
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BU of 3lx1 by Molmil
Crystal Structure analysis of PCNA1 from Thermococcus kodakaraensis tk0535
Descriptor: DNA polymerase sliding clamp 1, SULFATE ION
Authors:Ladner, J.E, Kelman, Z, Pan, M.
Deposit date:2010-02-24
Release date:2011-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of two active proliferating cell nuclear antigens (PCNAs) encoded by Thermococcus kodakaraensis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4PM5
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BU of 4pm5 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
7MY2
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BU of 7my2 by Molmil
CryoEM structure of neutralizing nanobody Nb30 in complex with SARS-CoV2 spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb30, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-05-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
8C9D
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BU of 8c9d by Molmil
Priestia megaterium W130Q mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue
Descriptor: D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-21
Release date:2023-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023

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