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6ZZK
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BU of 6zzk by Molmil
Crystal structure of the catalytic domain of C. glutamicum AceF (E2p) in ternary complex with CoA and dihydrolipoamide.
Descriptor: 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE, COENZYME A, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Authors:Bruch, E.M, Bellinzoni, M.
Deposit date:2020-08-04
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
8BZA
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BU of 8bza by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ555)
Descriptor: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
6ZZM
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BU of 6zzm by Molmil
Crystal structure of the catalytic domain of Corynebacterium mustelae predicted acetyltransferase AceF (E2p).
Descriptor: COENZYME A, Dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase complex
Authors:Bruch, E.M, Bellinzoni, M.
Deposit date:2020-08-04
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
8BYZ
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BU of 8byz by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)
Descriptor: 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
5K73
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BU of 5k73 by Molmil
as-isolated Dbr1 with Fe(II) and Zn(II)
Descriptor: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
6P6X
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BU of 6p6x by Molmil
Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein
Authors:Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A.
Deposit date:2019-06-04
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2023-01-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
5K50
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BU of 5k50 by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms
Descriptor: ACETATE ION, ALLO-THREONINE, GLYCEROL, ...
Authors:Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
Deposit date:2016-05-22
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5N0A
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BU of 5n0a by Molmil
Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11
Descriptor: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 HEAVY CHAIN, Envelope Glycoprotein E, ...
Authors:Vaney, M.C, Rouvinski, A, Guardado-Calvo, P, Sharma, A, Rey, F.A.
Deposit date:2017-02-02
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope.
Nat Commun, 8, 2017
8BXI
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BU of 8bxi by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-08
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYF
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BU of 8byf by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1047455)
Descriptor: 14-3-3 protein sigma, PHE-PRO-ALA-TPO-VAL, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-12
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYD
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BU of 8byd by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interactions (1075288)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-12
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
7A0A
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BU of 7a0a by Molmil
Crystal structure of mouse CSAD in apo form
Descriptor: Cysteine sulfinic acid decarboxylase, SODIUM ION, SULFATE ION
Authors:Mahootchi, E, Raasakka, A, Haavik, J, Kursula, P.
Deposit date:2020-08-07
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of cysteine sulphinic acid decarboxylase reveals structural determinants for substrate specificity of pyridoxal phosphate-dependent decarboxylases
To be published
8BYC
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BU of 8byc by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075316)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-12
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C0K
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BU of 8c0k by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-17
Release date:2023-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BX3
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BU of 8bx3 by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
Descriptor: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-07
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8QJI
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BU of 8qji by Molmil
Crystal structure of GSK3b in complex with N-(4-(5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl)pyridin-2-yl)cyclopropanecarboxamide inhibitor (TW362)
Descriptor: Glycogen synthase kinase-3 beta, N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
Authors:Slugocka, E.A, Grygier, P, Wichur, T, Czarna, A, Wieckowska, A.
Deposit date:2023-09-13
Release date:2024-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring Novel GSK-3 beta Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation.
Acs Chem Neurosci, 15, 2024
8BXN
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BU of 8bxn by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074399)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-09
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYY
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BU of 8byy by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-14
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C04
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BU of 8c04 by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-12-15
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4F
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BU of 8c4f by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ037)
Descriptor: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2023-01-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BXM
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BU of 8bxm by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074397)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-12-09
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
6PF2
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BU of 6pf2 by Molmil
Crystal Structure of Amino Acids 1220-1276 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1
Descriptor: 1,2-ETHANEDIOL, Myosin, heavy polypeptide 7, ...
Authors:Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I.
Deposit date:2019-06-21
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Complete Model of the Cardiac Myosin Rod
To Be Published
8BL6
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BU of 8bl6 by Molmil
De novo single-chain immunoglobulin dimer scIg12+EF3a
Descriptor: GLYCEROL, TERBIUM(III) ION, dIG14-scdim-EF62
Authors:Nadal, M, Roel-Touris, J, Marcos, E.
Deposit date:2022-11-09
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops.
Nat Commun, 14, 2023
8QW4
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BU of 8qw4 by Molmil
FZD3 in complex with nanobody 9
Descriptor: Frizzled-3, Nanobody Nb9
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2023-10-18
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into Frizzled3 through nanobody modulators.
Nat Commun, 15, 2024

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数据于2024-10-16公开中

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