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7OQG
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BU of 7oqg by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), BETA-MERCAPTOETHANOL, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7PAC
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BU of 7pac by Molmil
The crystal structure of PDE6D in the apo state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Beaumont, E, Williams, D.
Deposit date:2021-07-29
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
6DF7
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BU of 6df7 by Molmil
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
Authors:Murray, J.M.
Deposit date:2018-05-14
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
7OPT
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BU of 7opt by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
Descriptor: Ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
Deposit date:2021-06-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
7OQS
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BU of 7oqs by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177
Descriptor: 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OR3
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BU of 7or3 by Molmil
Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
6D9T
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BU of 6d9t by Molmil
BshA from Staphylococcus aureus complexed with UDP
Descriptor: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE
Authors:Royer, C.R, Cook, P.D.
Deposit date:2018-04-30
Release date:2019-05-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural and functional analysis of the glycosyltransferase BshA from Staphylococcus aureus: Insights into the reaction mechanism and regulation of bacillithiol production.
Protein Sci., 28, 2019
7ORS
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BU of 7ors by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147
Descriptor: (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQU
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BU of 7oqu by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180
Descriptor: (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7ORG
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BU of 7org by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-05
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OS7
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BU of 7os7 by Molmil
Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2021-06-08
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant
To Be Published
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ and K+
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
7OR8
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BU of 7or8 by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OKU
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BU of 7oku by Molmil
X-ray structure of soluble EPCR in P3121 space group
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J.
Deposit date:2021-05-18
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
7ORT
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BU of 7ort by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQW
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BU of 7oqw by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7ORH
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BU of 7orh by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-05
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OVX
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BU of 7ovx by Molmil
E3 RING ligase binding domain
Descriptor: E3 ubiquitin-protein ligase TRIM7, Peptide G
Authors:James, L.C.
Deposit date:2021-06-15
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:E3 ligase targeting domain
To Be Published
6DCY
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BU of 6dcy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
Descriptor: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-05-08
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
7OTE
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BU of 7ote by Molmil
Src Kinase Domain in complex with ponatinib
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GLYCEROL, ...
Authors:Soriano-Maldonado, P, Cuesta-Hernandez, H.N, Plaza-Menacho, I.
Deposit date:2021-06-10
Release date:2022-06-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An allosteric switch between the activation loop and a c-terminal palindromic phospho-motif controls c-Src function.
Nat Commun, 14, 2023
6DOD
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BU of 6dod by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 360 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DOP
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BU of 6dop by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C (dataset 1)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7OZC
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BU of 7ozc by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, Arylsulfatase A, CALCIUM ION
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022

223790

数据于2024-08-14公开中

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