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8OQM
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BU of 8oqm by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 2024
7TCM
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BU of 7tcm by Molmil
Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii in complex with NADP
Descriptor: Aspartate-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-27
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii in complex with NADP
to be published
7SUD
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BU of 7sud by Molmil
CryoEM structure of DNA-PK complex VIII
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ...
Authors:Chen, X, Liu, L, Gellert, M, Yang, W.
Deposit date:2021-11-16
Release date:2022-01-12
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
7SU3
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BU of 7su3 by Molmil
CryoEM structure of DNA-PK complex VII
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), ...
Authors:Chen, X, Liu, L, Gellert, M, Yang, W.
Deposit date:2021-11-16
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
7T8W
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BU of 7t8w by Molmil
Structure of antibody 3G12 bound to Respiratory Syncytial Virus G central conserved domain mutant S177Q
Descriptor: 3G12 Fab Heavy chain, 3G12 Fab Light chain, Mature secreted glycoprotein G
Authors:Nunez Castrejon, A.M, O'Rourke, S.M, Kauvar, L.M, DuBois, R.M.
Deposit date:2021-12-17
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design and Antigenic Validation of Respiratory Syncytial Virus G Immunogens.
J.Virol., 96, 2022
5PZN
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BU of 5pzn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(TERT-BUTYLCARBAMOYL)PHENYL]-2-(4-FLUOROPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
7T02
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BU of 7t02 by Molmil
Cryo-EM structure of DNMT5 pseudo-ternary complex solved by incubation with hemimethylated DNA and SAM
Descriptor: DNA (5'-D(*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), DNA repair protein Rad8, ...
Authors:Wang, J, Patel, D.J.
Deposit date:2021-11-29
Release date:2022-02-23
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
Descriptor: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2547 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
4GBN
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BU of 4gbn by Molmil
Crystal structure of aspart insulin at pH 6.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
1ISO
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BU of 1iso by Molmil
ISOCITRATE DEHYDROGENASE: STRUCTURE OF AN ENGINEERED NADP+--> NAD+ SPECIFICITY-REVERSAL MUTANT
Descriptor: ISOCITRATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Hurley, J.H.
Deposit date:1996-03-01
Release date:1996-12-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of cofactor specificity in isocitrate dehydrogenase: structure of an engineered NADP+ --> NAD+ specificity-reversal mutant.
Biochemistry, 35, 1996
1AXI
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BU of 1axi by Molmil
STRUCTURAL PLASTICITY AT THE HGH:HGHBP INTERFACE
Descriptor: GROWTH HORMONE, GROWTH HORMONE RECEPTOR, SULFATE ION
Authors:Atwell, S, Ultsch, M, De Vos, A.M, Wells, J.A.
Deposit date:1997-10-15
Release date:1998-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural plasticity in a remodeled protein-protein interface.
Science, 278, 1997
1IDM
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BU of 1idm by Molmil
3-ISOPROPYLMALATE DEHYDROGENASE, LOOP-DELETED CHIMERA
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE
Authors:Sakurai, M, Ohzeki, M, Moriyama, H, Sato, M, Tanaka, N.
Deposit date:1995-05-19
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a loop-deleted variant of 3-isopropylmalate dehydrogenase from Thermus thermophilus: an internal reprieve tolerance mechanism.
Acta Crystallogr.,Sect.D, 52, 1996
8CUG
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BU of 8cug by Molmil
Synthetic epi-Novo29 (2R,3S), synchrotron structure
Descriptor: ACETATE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
1B5E
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BU of 1b5e by Molmil
DCMP HYDROXYMETHYLASE FROM T4
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, PROTEIN (DEOXYCYTIDYLATE HYDROXYMETHYLASE)
Authors:Song, H.K, Sohn, S.H, Suh, S.W.
Deposit date:1999-01-06
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
EMBO J., 18, 1999
8CUF
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BU of 8cuf by Molmil
Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure
Descriptor: ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S)
Authors:Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
Deposit date:2022-05-17
Release date:2023-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
4GBC
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BU of 4gbc by Molmil
Crystal structure of aspart insulin at pH 6.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
4GBK
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BU of 4gbk by Molmil
Crystal structure of aspart insulin at pH 8.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
9BE0
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BU of 9be0 by Molmil
GC-centric NF-kappaB RelA binding DNA
Descriptor: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
Deposit date:2024-04-13
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BE1
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BU of 9be1 by Molmil
CG-centric NF-kappaB RelA binding DNA
Descriptor: ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G.
Deposit date:2024-04-13
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9G2R
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BU of 9g2r by Molmil
Endophilin B1 dimers bound to nanodiscs
Descriptor: Endophilin-B1
Authors:Thorlacius, A, Sundborger-Lunna, A.
Deposit date:2024-07-11
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Endophilin B1 dimers bound to nanodiscs
To Be Published
9G2W
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BU of 9g2w by Molmil
Endophilin B1 dimer bound to nanodisc edge
Descriptor: Endophilin-B1
Authors:Thorlacius, A, Sundborger-Lunna, A.
Deposit date:2024-07-11
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Endophilin B1 dimer bound to nanodisc edge
To Be Published
9C1Q
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BU of 9c1q by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ...
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-05-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
9G2U
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BU of 9g2u by Molmil
Endophilin B1 dimer bound to nanodisc center
Descriptor: Endophilin-B1
Authors:Thorlacius, A, Sundborger-Lunna, A.
Deposit date:2024-07-11
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Endophilin B1 dimers bound to nanodiscs
To Be Published
4GBI
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BU of 4gbi by Molmil
Crystal structure of aspart insulin at pH 6.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013

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