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8BIH
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BU of 8bih by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284b
Descriptor: 3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BID
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BU of 8bid by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
Descriptor: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BJ4
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BU of 8bj4 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in apo form
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
Authors:Rutkiewicz, M, Witek, W, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
3K6A
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BU of 3k6a by Molmil
Crystal structure of molybdenum cofactor biosynthesis protein mog from shewanella oneidensis
Descriptor: Molybdenum cofactor biosynthesis protein Mog, SODIUM ION
Authors:Chang, C, Bigelow, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-08
Release date:2009-10-20
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Molybdenum Cofactor Biosynthesis Protein Mog from Shewanella Oneidensis
To be Published
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
Descriptor: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
Authors:Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
Deposit date:2016-02-19
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
3NTE
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BU of 3nte by Molmil
Crystal Structure of the Wild-type Full-Length HIV-1 Capsid Protein
Descriptor: FE (III) ION, HIV-1 capsid protein, IODIDE ION, ...
Authors:Betts, L, Yeh, J.I.
Deposit date:2010-07-03
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the HIV-1 full-length capsid protein in a conformationally trapped unassembled state induced by small-molecule binding.
J.Mol.Biol., 406, 2011
3O79
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BU of 3o79 by Molmil
Crystal Structure of Wild-type Rabbit PrP 126-230
Descriptor: CHLORIDE ION, GLYCEROL, Rabbit PrP, ...
Authors:Sweeting, B, Chakrabartty, A, Pai, E.F.
Deposit date:2010-07-30
Release date:2010-11-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP.
Proc.Natl.Acad.Sci.USA, 107, 2010
5III
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BU of 5iii by Molmil
Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2016-03-01
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
5IMV
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BU of 5imv by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F6
Descriptor: Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION
Authors:Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
Deposit date:2016-03-07
Release date:2016-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
3IC9
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BU of 3ic9 by Molmil
The structure of dihydrolipoamide dehydrogenase from Colwellia psychrerythraea 34H.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, dihydrolipoamide dehydrogenase
Authors:Tan, K, Rakowski, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-17
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of dihydrolipoamide dehydrogenase from Colwellia psychrerythraea 34H.
To be Published
3I1J
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BU of 3i1j by Molmil
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-06-26
Release date:2009-07-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a putative short chain dehydrogenase from Pseudomonas syringae
To be Published
5H6X
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BU of 5h6x by Molmil
The crystal structure of RpoS fragment including a partial region 1.2 and region 2 from intracellular pathogen Legionella pneumophila
Descriptor: GLYCEROL, RNA polymerase sigma factor RpoS, SODIUM ION
Authors:Zhang, N, Chen, X, Gong, X, Ge, H.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Crystal Structure of RpoS Fragment including a Partial Region 1.2 and Region 2 from the Intracellular Pathogen Legionella pneumophila
Crystals, 8, 2018
8A3D
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BU of 8a3d by Molmil
Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Faille, A, Warren, A.J, Dent, K.C.
Deposit date:2022-06-08
Release date:2023-03-08
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (1.67 Å)
Cite:The chemical landscape of the human ribosome at 1.67 angstrom resolution.
Biorxiv, 2023
3MQD
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BU of 3mqd by Molmil
Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol
Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, Beta-ketoacyl synthase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-28
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
7ZKT
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BU of 7zkt by Molmil
Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine
Descriptor: 1,2-ETHANEDIOL, COENZYME A, LYSINE, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P.
Deposit date:2022-04-13
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
5HVX
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BU of 5hvx by Molmil
Full length Wild-Type Open-form Sodium Channel NavMs
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, ...
Authors:Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A.
Deposit date:2016-01-28
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
5HHI
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BU of 5hhi by Molmil
Structure of human DNA polymerase beta Host-Guest complexed with CBZ-platinated N7-G
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Lee, S, Koag, M.-C.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
8YR2
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BU of 8yr2 by Molmil
Structure of NET-Nisoxetine in outward-open state
Descriptor: CHLORIDE ION, CHOLESTEROL, SODIUM ION, ...
Authors:Zhang, H, Xu, E.H, Jiang, Y.
Deposit date:2024-03-20
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
8Y92
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BU of 8y92 by Molmil
structure of NET-Atomoxetine in outward-open state
Descriptor: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ...
Authors:Zhang, H, Xu, E.H, Jiang, Y.
Deposit date:2024-02-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
3HW8
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BU of 3hw8 by Molmil
ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A.
Deposit date:2009-06-17
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Scrunching Durning DNA Repair Synthesis
To be Published
3E9L
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BU of 3e9l by Molmil
Crystal Structure of Human Prp8, Residues 1755-2016
Descriptor: CHLORIDE ION, Pre-mRNA-processing-splicing factor 8, SODIUM ION
Authors:Pena, V, Rozov, A, Wahl, M.C.
Deposit date:2008-08-22
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and function of an RNase H domain at the heart of the spliceosome.
Embo J., 27, 2008
8Y91
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BU of 8y91 by Molmil
Structure of NET-nomifensine in outward-open state
Descriptor: (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ...
Authors:Zhang, H, Xu, E.H, Jiang, Y.
Deposit date:2024-02-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
3EGK
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BU of 3egk by Molmil
KNOBLE Inhibitor
Descriptor: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ...
Authors:Baum, B, Heine, A, Klebe, G, Muenzel, M.
Deposit date:2008-09-10
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding
Angew.Chem.Int.Ed.Engl., 46, 2007
5FAW
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BU of 5faw by Molmil
T502A mutant of choline TMA-lyase
Descriptor: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016

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PDB entries from 2024-08-07

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