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6Y40
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BU of 6y40 by Molmil
14-3-3 Sigma in complex with phosphorylated PLN peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
7YLX
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BU of 7ylx by Molmil
yeast TRiC-plp2-actin complex at S4 closed TRiC state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Han, W.Y.
Deposit date:2022-07-27
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YLY
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BU of 7yly by Molmil
yeast TRiC-plp2 complex at S5 closed TRiC state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Han, W.Y.
Deposit date:2022-07-27
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
8FGW
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BU of 8fgw by Molmil
Human IFT-A complex structures provide molecular insights into ciliary transport
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ...
Authors:Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J.
Deposit date:2022-12-12
Release date:2023-02-22
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Human IFT-A complex structures provide molecular insights into ciliary transport.
Cell Res., 33, 2023
5ILV
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BU of 5ilv by Molmil
Uninhibited ETV5
Descriptor: ETS translocation variant 5
Authors:Whitby, F.G, Currie, S.L.
Deposit date:2016-03-04
Release date:2017-02-22
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5.
Nucleic Acids Res., 45, 2017
4HHZ
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BU of 4hhz by Molmil
Crystal structure of PARP catalytic domain in complex with novel inhibitors
Descriptor: N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2012-10-10
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7199 Å)
Cite:Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
6YLK
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BU of 6ylk by Molmil
Cdk2(F80C) with Covalent Adduct TK22 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-07
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6Y1J
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BU of 6y1j by Molmil
14-3-3 sigma in complex with IkappaBalpha pS63 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.127 Å)
Cite:Interaction of an I kappa B alpha Peptide with 14-3-3.
Acs Omega, 5, 2020
6Y3V
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BU of 6y3v by Molmil
14-3-3 Sigma in complex with phosphorylated c-Jun peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6Y44
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BU of 6y44 by Molmil
14-3-3 Sigma in complex with phosphorylated SOS1 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
Descriptor: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
Descriptor: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
Descriptor: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
5IEY
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BU of 5iey by Molmil
Crystal structure of a CDK inhibitor bound to CDK2
Descriptor: 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2
Authors:Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
6YPL
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BU of 6ypl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037
Descriptor: (2-methylsulfonylphenyl)methanol, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
2RM0
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BU of 2rm0 by Molmil
FBP28WW2 domain in complex with a PPPLIPPPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-06
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
2RLY
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BU of 2rly by Molmil
FBP28WW2 domain in complex with PTPPPLPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-03
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
7SZ2
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BU of 7sz2 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
Deposit date:2021-11-25
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-04
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FF8
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BU of 8ff8 by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
Descriptor: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Muckelbauer, J.K, Lewis, H.A.
Deposit date:2022-12-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
4I9A
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BU of 4i9a by Molmil
Crystal Structure of Sus scrofa Quinolinate Phosphoribosyltransferase in Complex with Nicotinate Mononucleotide
Descriptor: NICOTINATE MONONUCLEOTIDE, quinolinate phosphoribosyltransferase
Authors:Youn, H.-S, Kim, M.-K, Kang, K.B, Kim, T.G, Lee, J.-G, An, J.Y, Park, K.R, Lee, Y, Kang, J.Y, Song, H.E, Park, I, Cho, C, Fukuoka, S, Eom, S.H.
Deposit date:2012-12-05
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Crystal structure of Sus scrofa quinolinate phosphoribosyltransferase in complex with nicotinate mononucleotide
Plos One, 8, 2013
6YE9
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BU of 6ye9 by Molmil
Small-molecule inhibitor of 14-3-3 protein-protein interactions
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
Authors:Ottmann, C, Visser, E.J.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions
To Be Published
7ZL2
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BU of 7zl2 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-13
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
To Be Published
7ZKF
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BU of 7zkf by Molmil
Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
Descriptor: PHOSPHATE ION, T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-12
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
To Be Published
7ZK2
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BU of 7zk2 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with CSC027898502
Descriptor: N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide, PHOSPHATE ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-12
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with CSC027898502
To Be Published

224572

數據於2024-09-04公開中

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