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6ZV2
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BU of 6zv2 by Molmil
TFIIS N-terminal domain (TND) from human PPP1R10
Descriptor: Serine/threonine-protein phosphatase 1 regulatory subunit 10
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
4G5I
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BU of 4g5i by Molmil
Crystal Structure of Porcine pancreatic PlA2 in complex with DBP
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Prasanth, G.K, Naveen, C.D, Mandal, P.K, Karthe, P, Haridas, M, Sadasivan, C.
Deposit date:2012-07-18
Release date:2012-11-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Porcine pancreatic PlA2 in complex with DBP
TO BE PUBLISHED
6RIJ
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BU of 6rij by Molmil
CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
Descriptor: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Skerlova, J, Rezacova, P, Brynda, J.
Deposit date:2019-04-24
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
To Be Published
6ZV0
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BU of 6zv0 by Molmil
TFIIS N-terminal domain (TND) from human LEDGF/p75
Descriptor: PC4 and SFRS1-interacting protein
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
Deposit date:2019-04-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RST
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BU of 6rst by Molmil
TBK1 in complex with inhibitor compound 24
Descriptor: 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Hillig, R.C, Rengachari, S.
Deposit date:2019-05-22
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
4DBK
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BU of 4dbk by Molmil
Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
Descriptor: BERBERINE, CALCIUM ION, Phospholipase A2, ...
Authors:Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M.
Deposit date:2012-01-16
Release date:2012-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
Descriptor: Pachytene checkpoint protein 2 homolog
Authors:Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
Deposit date:2019-12-17
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
6S9T
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BU of 6s9t by Molmil
Dimerization domain of Xenopus laevis LDB1 in complex with darpin 3
Descriptor: Darpin 3, LIM domain-binding protein 1, TETRAETHYLENE GLYCOL
Authors:Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M.
Deposit date:2019-07-15
Release date:2019-10-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome.
Proc.Natl.Acad.Sci.USA, 116, 2019
2WH0
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BU of 2wh0 by Molmil
Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ...
Authors:Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q.
Deposit date:2009-04-28
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon.
Embo Rep., 10, 2009
6QZR
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BU of 6qzr by Molmil
14-3-3 sigma in complex with FOXO1 pT24 peptide
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Forkhead box protein O1, ...
Authors:Ottmann, C, Wolter, M, Lau, R.A.
Deposit date:2019-03-12
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins.
J.Biol.Chem., 294, 2019
6QDT
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BU of 6qdt by Molmil
Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C.
Deposit date:2019-01-02
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth.
Cell Chem Biol, 27, 2020
6QDS
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BU of 6qds by Molmil
Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by semi-synthetic fusicoccane FC-NCPC
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FC-NCPC, ...
Authors:Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C.
Deposit date:2019-01-02
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth.
Cell Chem Biol, 27, 2020
6S9S
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BU of 6s9s by Molmil
Dimerization domain of Xenopus laevis LDB1 in complex with darpin 10
Descriptor: Darpin 10, LIM domain-binding protein 1
Authors:Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M.
Deposit date:2019-07-15
Release date:2019-10-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome.
Proc.Natl.Acad.Sci.USA, 116, 2019
6SJA
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BU of 6sja by Molmil
Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ...
Authors:Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G.
Deposit date:2019-08-13
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deciphering de molecular and structural interaction between IRF3 and HPV16 E6
To be published
6ZZ6
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BU of 6zz6 by Molmil
Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ...
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J.
Deposit date:2020-08-04
Release date:2020-09-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3.
Elife, 9, 2020
6SVL
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BU of 6svl by Molmil
human Myeloid-derived growth factor (MYDGF) in complex with neutralizing Fab
Descriptor: Fab_heavy_chain, Fab_light_chain, GLYCEROL, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2019-09-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair.
Nat Commun, 10, 2019
6SXB
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BU of 6sxb by Molmil
XPF-ERCC1 Cryo-EM Structure, DNA-Bound form
Descriptor: DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ...
Authors:Jones, M.L, Briggs, D.C, McDonald, N.Q.
Deposit date:2019-09-25
Release date:2020-03-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
1NK3
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BU of 1nk3 by Molmil
VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
Authors:Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
Deposit date:1998-05-06
Release date:1998-12-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
1NK2
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BU of 1nk2 by Molmil
VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, 20 STRUCTURES
Descriptor: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
Authors:Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
Deposit date:1998-05-06
Release date:1999-02-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
2ZA0
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BU of 2za0 by Molmil
Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin
Descriptor: Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Authors:Okumura, H, Kawatani, M, Osada, H.
Deposit date:2007-09-26
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I
Proc.Natl.Acad.Sci.Usa, 105, 2008
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-25
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86527729 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
Descriptor: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-26
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.970063 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6MGN
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BU of 6mgn by Molmil
mouse Id1 (51-104) - human hE47 (348-399) complex
Descriptor: DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha
Authors:Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MGM
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BU of 6mgm by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019

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