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5IF8
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BU of 5if8 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-2643 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Descriptor: 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
7LTP
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BU of 7ltp by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
5I55
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BU of 5i55 by Molmil
Crystal Structure of the Virulent PSM-alpha3 Peptide Forming a Cross-alpha amyloid-like Fibril
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Psm alpha-3
Authors:Landau, M, Moshe, A, Tayeb-Fligelman, E, Sawaya, M.R, Coquelle, N, Colletier, J.-P.
Deposit date:2016-02-14
Release date:2017-03-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The cytotoxic Staphylococcus aureus PSM alpha 3 reveals a cross-alpha amyloid-like fibril.
Science, 355, 2017
8VO1
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BU of 8vo1 by Molmil
Pathogenesis related 10-10 C155S mutant
Descriptor: Pathogenesis related 10-10 C155S mutant
Authors:Carr, S.C, Facchini, P.J, Ng, K.K.S.
Deposit date:2024-01-14
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy.
Acta Crystallogr D Struct Biol, 80, 2024
6VMV
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BU of 6vmv by Molmil
Crystal structure of the H767A mutant of GoxA soaked with glycine
Descriptor: Glycine oxidase, MAGNESIUM ION, SULFATE ION
Authors:Yukl, E.T.
Deposit date:2020-01-28
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase.
J.Biol.Chem., 295, 2020
8VPA
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BU of 8vpa by Molmil
Cryo-EM structure of the ABC transporter PCAT1 bound with ADP
Descriptor: ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE
Authors:Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S.
Deposit date:2024-01-16
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
5IFS
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BU of 5ifs by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Roske, Y, Arumughan, A, Heinemann, U, Wanker, E.
Deposit date:2016-02-26
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
8W2Q
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BU of 8w2q by Molmil
BsaXI-DNA complex II
Descriptor: DNA (41-MER), RM.BsaXI, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Shen, B.W, Stoddard, B.L, Xu, S.
Deposit date:2024-02-21
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural and biochemical analysis of subunit assembly, DNA recognition and cleavage by a Type IIB restriction-modification enzyme: BsaXI
To Be Published
7LW0
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BU of 7lw0 by Molmil
Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
Descriptor: Terminase small subunit
Authors:Ortega, M.E.
Deposit date:2021-02-26
Release date:2022-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
To Be Published
8VPB
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BU of 8vpb by Molmil
Cryo-EM structure of the ABC transporter PCAT1 bound with MgADP_Class_2
Descriptor: ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S.
Deposit date:2024-01-16
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
5IG2
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BU of 5ig2 by Molmil
Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum in complex with NAD
Descriptor: ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-26
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum in complex with NAD
to be published
7LV5
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BU of 7lv5 by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
To be Published
5VJV
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BU of 5vjv by Molmil
Rhizobiales-like phosphatase 2
Descriptor: PHOSPHATE ION, Rhizobiales-like phosphatase 2, ZINC ION
Authors:Ng, K.K.S, Labandera, A, Moorhead, G.
Deposit date:2017-04-20
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the preference of the Arabidopsis thalianaphosphatase RLPH2 for tyrosine-phosphorylated substrates.
Sci Signal, 11, 2018
6VNX
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BU of 6vnx by Molmil
Crystal structure of TYK2 kinase with compound 19
Descriptor: (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
8W2P
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BU of 8w2p by Molmil
BsaXI-DNA complex I
Descriptor: CALCIUM ION, DNA (41-MER) Complementary strand of BsaXI DNA substrate, DNA (41-MER) Top strand of BsaXI cognate DNA substrate, ...
Authors:Shen, B.W, Stoddard, B.L, Xu, S.
Deposit date:2024-02-20
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural and biochemical analysis of subunit assembly, DNA recognition and cleavage by a Type IIB restriction-modification enzyme: BsaXI
To Be Published
5I5X
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BU of 5i5x by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
6VO2
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BU of 6vo2 by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor.
Descriptor: 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
Authors:Bayaraa, T, Patel, K.M, Guddat, L.W.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
8VGQ
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BU of 8vgq by Molmil
CryoEM structure of GNE-1952-alkylated KRAS G12C in complex with engineered conformationally rigid Fab 2H11.4DS
Descriptor: 1-{4-[(7M)-6-methyl-7-(5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, Fab 2H11.4DS heavy chain, Fab 2H11.4DS light chain, ...
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-10-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
7LX1
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BU of 7lx1 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
To be Published
6VIL
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BU of 6vil by Molmil
Crystal structure of mouse BAHCC1 BAH domain in complex with H3K27me3
Descriptor: BAH and coiled-coil domain-containing protein 1, Histone H3.1
Authors:Song, J, Lu, J.
Deposit date:2020-01-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:BAHCC1 binds H3K27me3 via a conserved BAH module to mediate gene silencing and oncogenesis.
Nat.Genet., 52, 2020
5IGJ
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BU of 5igj by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8VWT
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BU of 8vwt by Molmil
OGG1 bound to a nucleosome containing 8oxoG at SHL-6 (composite map)
Descriptor: 601 I strand (non-damaged strand), 601 J strand (damaged strand), Histone H2A type 1, ...
Authors:Weaver, T.M, Ling, J.A, Freudenthal, B.D.
Deposit date:2024-02-02
Release date:2024-10-30
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Contributing factors to the oxidation-induced mutational landscape in human cells.
Nat Commun, 15, 2024
6VJJ
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BU of 6vjj by Molmil
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
8VWN
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BU of 8vwn by Molmil
Crystal structure of Vibrio cholerae NFeoB in the GDP-bound form
Descriptor: Ferrous iron transport protein B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Lee, M, Smith, A.T.
Deposit date:2024-02-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural determinants of Vibrio cholerae FeoB nucleotide promiscuity.
J.Biol.Chem., 300, 2024

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數據於2025-10-22公開中

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