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4I2H
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BU of 4i2h by Molmil
Ternary complex of mouse TdT with ssDNA and AMPcPP
Descriptor: 5'-D(P*AP*AP*AP*AP*A)-3', DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA nucleotidylexotransferase, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-11-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of Intermediates along the Catalytic Cycle of Terminal Deoxynucleotidyltransferase: Dynamical Aspects of the Two-Metal Ion Mechanism.
J.Mol.Biol., 425, 2013
4I2E
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BU of 4i2e by Molmil
Ternary complex of mouse TdT with ssDNA and AMPcPP
Descriptor: 5'-D(*AP*AP*AP*AP*A)-3', COBALT (II) ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-11-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Intermediates along the Catalytic Cycle of Terminal Deoxynucleotidyltransferase: Dynamical Aspects of the Two-Metal Ion Mechanism.
J.Mol.Biol., 425, 2013
4I27
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BU of 4i27 by Molmil
Ternary complex of mouse TdT with ssDNA and incoming nucleotide
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*AP*AP*AP*AP*T)-3', DNA nucleotidylexotransferase, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-11-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Intermediates along the Catalytic Cycle of Terminal Deoxynucleotidyltransferase: Dynamical Aspects of the Two-Metal Ion Mechanism.
J.Mol.Biol., 425, 2013
2M57
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BU of 2m57 by Molmil
NMR solution structure of domain 5 from Azotobacter vinelandii Intron 5 at pH 7.8
Descriptor: RNA_(35-MER)
Authors:Pechlaner, M, Donghi, D, Zelenay, V, Sigel, R.K.O.
Deposit date:2013-02-15
Release date:2014-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Acid-base equilibria near neutral pH in the catalytic triad and the bulge of domain 5 of a bacterial group II intron
To be Published
6YU8
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BU of 6yu8 by Molmil
RNA Methyltransferase of Sudan Ebola Virus
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ferron, F, Valle, C, Zamboni, V, Canard, B, Decroly, E.
Deposit date:2020-04-25
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:First insights into the structural features of Ebola virus methyltransferase activities.
Nucleic Acids Res., 49, 2021
2AQ4
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BU of 2aq4 by Molmil
Ternary complex of the catalytic core of REV1 with DNA and dCTP.
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3', 5'-D(*TP*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
Authors:Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2005-08-17
Release date:2005-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Rev1 employs a novel mechanism of DNA synthesis using a protein template.
Science, 309, 2005
6XY5
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BU of 6xy5 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-01-29
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6XXC
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BU of 6xxc by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-01-27
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
Descriptor: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
6HN2
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BU of 6hn2 by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-13
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HMT
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BU of 6hmt by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-12
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HKB
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BU of 6hkb by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Descriptor: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HHP
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BU of 6hhp by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
Descriptor: (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-08-28
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HKF
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BU of 6hkf by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4
Descriptor: (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HMU
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BU of 6hmu by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-12
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
2V6J
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BU of 2v6j by Molmil
Kokobera Virus Helicase: Mutant Met47Thr
Descriptor: RNA HELICASE
Authors:Speroni, S, De Colibus, L, Coutard, B, Canard, B, Mattevi, A.
Deposit date:2007-07-18
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Biochemical Analysis of Kokobera Virus Helicase
Proteins: Struct., Funct., Bioinf., 70, 2008
8FOW
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BU of 8fow by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
4QKV
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BU of 4qkv by Molmil
Crystal structure of the mouse cavin1 HR1 domain
Descriptor: Polymerase I and transcript release factor
Authors:Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M.
Deposit date:2014-06-10
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the organization of the cavin membrane coat complex
Dev.Cell, 31, 2014
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Centorrino, F, Ottmann, C.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
4PN7
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BU of 4pn7 by Molmil
Crystal Structure of the TFIIH p34 N-terminal Domain
Descriptor: Putative transcription factor
Authors:Schmitt, D.R, Kuper, J, Elias, A, Kisker, C.
Deposit date:2014-05-23
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The Structure of the TFIIH p34 Subunit Reveals a Von Willebrand Factor A Like Fold.
Plos One, 9, 2014
6HTV
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BU of 6htv by Molmil
Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M in complex with isomaltotetraose
Descriptor: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
Authors:Claverie, M, Cioci, G, Remaud-Simeon, M, Moulis, C, Lippens, G.
Deposit date:2018-10-04
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Futile Encounter Engineering of the DSR-M Dextransucrase Modifies the Resulting Polymer Length.
Biochemistry, 58, 2019
6D0Y
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BU of 6d0y by Molmil
X-ray Crystal Structure of PGC-1beta C-terminus bound to the CBP80-CBP20 Cap Binding Complex
Descriptor: MAGNESIUM ION, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Gleghorn, M.L, Maquat, L.E.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.676 Å)
Cite:Transcriptional coactivator PGC-1 alpha contains a novel CBP80-binding motif that orchestrates efficient target gene expression.
Genes Dev., 32, 2018
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
Descriptor: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013

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