6NEV
 
 | | FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant | | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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8E3G
 | | BMP2/GDF5 heterodimer | | Descriptor: | Bone morphogenetic protein 2, GLYCEROL, Growth/differentiation factor 5 | | Authors: | Gipson, G.R, Nolan, K.T, Thompson, T.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Formation and characterization of BMP2/GDF5 and BMP4/GDF5 heterodimers.
Bmc Biol., 21, 2023
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8R3O
 | | Transketolase from Haemophilus influenzae in complex with thiamin pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Ballut, L, Georges, R.N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B. | | Deposit date: | 2023-11-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study
To Be Published
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6HTT
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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5A7M
 | | The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | | Deposit date: | 2015-07-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
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6TEQ
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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6NI5
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5ET9
 | | Racemic crystal structures of Pribnow box consensus promoter sequence (P21/n) | | Descriptor: | BARIUM ION, Pribnow box consensus sequence- template strand, Pribnow box non-template strand | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | | Deposit date: | 2015-11-17 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography.
Nucleic Acids Res., 44, 2016
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8R3S
 | | Transketolase from Staphylococcus aureus in complex with thiamin pyrophosphate | | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase | | Authors: | Ballut, L, Georges, N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B. | | Deposit date: | 2023-11-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study
To Be Published
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7OP6
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2021-05-29 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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8R3R
 | | Transketolase from Streptococcus pneumoniae in complex with thiamin pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Probable transketolase, ... | | Authors: | Ballut, L, Georges, R.N, Aghajari, N, Hecquet, L, Charmantray, F, Doumeche, B. | | Deposit date: | 2023-11-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study
To Be Published
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8R74
 | | Galectin-1 in complex with thiogalactoside derivative | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1 | | Authors: | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | | Deposit date: | 2023-11-23 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
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8QXK
 | | Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXO
 | | Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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6QGD
 | | Structure of human Mcl-1 in complex with thienopyrimidine inhibitor | | Descriptor: | 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6VV6
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.235 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6TLH
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8QXN
 | | Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXL
 | | Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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7RDZ
 | | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
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5CJY
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7RE3
 | | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
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7RE1
 | | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
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8QE8
 | | Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ... | | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | | Deposit date: | 2023-08-30 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism.
Mol.Cell, 84, 2024
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7RE2
 | | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
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