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8BCE
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BU of 8bce by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 76
Descriptor: 1,2-ETHANEDIOL, N-methoxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCG
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BU of 8bcg by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 86
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCH
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BU of 8bch by Molmil
Human Brr2 Helicase Region in complex with Sulfaguanidine
Descriptor: 1-(4-aminophenyl)sulfonylguanidine, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCB
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BU of 8bcb by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 34
Descriptor: 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, SULFANILAMIDE, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCF
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BU of 8bcf by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 78
Descriptor: 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCD
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BU of 8bcd by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 50
Descriptor: Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, phenylsulfonylcarbamodithioic acid
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BC8
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BU of 8bc8 by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 18
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-4-oxidanyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
4WN1
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BU of 4wn1 by Molmil
Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one
Descriptor: 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2014-10-10
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.
Bioorg.Med.Chem., 23, 2015
1P7A
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BU of 1p7a by Molmil
Solution Structure of the Third Zinc Finger from BKLF
Descriptor: Kruppel-like factor 3, ZINC ION
Authors:Simpson, R.J.Y, Cram, E.D, Czolij, R, Matthews, J.M, Crossley, M, Mackay, J.P.
Deposit date:2003-04-30
Release date:2003-12-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:CCHX zinc finger derivatives retain the ability to bind Zn(II) and mediate protein-DNA interactions.
J.Biol.Chem., 278, 2003
7VZO
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BU of 7vzo by Molmil
crystal structure of Domain 5-6 of filamin C from Scylla paramamosain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Filamin C
Authors:He, X, Jin, T.
Deposit date:2021-11-16
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure Analysis and IgE Epitope Mapping of Allergic Predominant Region in Scylla paramamosain Filamin C, Scy p 9.
J.Agric.Food Chem., 70, 2022
6S92
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BU of 6s92 by Molmil
Crystal structure of group A of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6S94
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BU of 6s94 by Molmil
Crystal structure of group D of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6S95
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BU of 6s95 by Molmil
Crystal structure of group I of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6S93
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BU of 6s93 by Molmil
Crystal structure of group B of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6SBT
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BU of 6sbt by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Moellerud, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2019-07-22
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
6SNY
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BU of 6sny by Molmil
Synthetic mimic of an EPCR-binding PfEMP1 bound to EPCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, ...
Authors:Barber, N.M, Higgins, M.K.
Deposit date:2019-08-27
Release date:2019-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structure-Guided Design of a Synthetic Mimic of an Endothelial Protein C Receptor-Binding PfEMP1 Protein.
Msphere, 6, 2021
1XR4
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BU of 1xr4 by Molmil
X-ray crystal structure of putative citrate lyase alpha chain/citrate-ACP transferase [Salmonella typhimurium]
Descriptor: putative citrate lyase alpha chain/citrate-ACP transferase
Authors:Osipiuk, J, Quartey, P, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-10-13
Release date:2004-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:X-ray crystal structure of putative citrate lyase alpha chain/citrate-ACP transferase from Salmonella typhimurium.
To be Published
6MIC
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BU of 6mic by Molmil
Crystal Structure of the C-terminal half of the Vibrio cholerae minor pilin TcpB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Toxin co-regulated pilus biosynthesis protein B
Authors:Kolappan, S, Craig, L.
Deposit date:2018-09-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:TheVibrio choleraeminor pilin TcpB mediates uptake of the cholera toxin phage CTX phi.
J.Biol.Chem., 294, 2019
6MQD
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BU of 6mqd by Molmil
Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid
Descriptor: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Basic phospholipase A2 homolog 2
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2018-10-09
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Sci Rep, 9, 2019
6MQF
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BU of 6mqf by Molmil
Myotoxin II from Bothrops moojeni complexed with Acetylsalicylic acid
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2018-10-09
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Sci Rep, 9, 2019
2BKJ
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BU of 2bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI COMPLEXED WITH NAD+
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanner, J.J, TU, S.-C, Krause, K.L.
Deposit date:1998-07-23
Release date:1999-09-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Unusual folded conformation of nicotinamide adenine dinucleotide bound to flavin reductase P.
Protein Sci., 8, 1999
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
Authors:Garcia-Saez, I, Skoufias, D.A.
Deposit date:2020-02-12
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Eg5 motor domain mutant R234C
To Be Published
7U69
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BU of 7u69 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U3M
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BU of 7u3m by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid
Descriptor: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-02-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6B
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BU of 7u6b by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022

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PDB entries from 2024-10-16

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