3DUH
 
 | | Structure of Interleukin-23 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | | Authors: | Lupardus, P.J, Garcia, K.C. | | Deposit date: | 2008-07-17 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
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6W9E
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | | Descriptor: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ... | | Authors: | Zhang, P, Wu, J. | | Deposit date: | 2020-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
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6QHM
 | | 14-3-3 sigma with RelA/p65 binding site pS281 | | Descriptor: | 14-3-3 protein sigma, LEU-SEP-GLU | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-01-16 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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6SLW
 | | Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1 | | Authors: | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | | Deposit date: | 2019-08-20 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6N7G
 | | Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form I) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yan, N, Gong, X, Qian, H.W. | | Deposit date: | 2018-11-27 | | Release date: | 2019-05-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
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6TL3
 | | Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative | | Descriptor: | 14-3-3 protein sigma, 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid, Estrogen receptor | | Authors: | Andrei, S.A, Bosica, F, Ottmann, C, O'Mahony, G. | | Deposit date: | 2019-11-30 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization.
Chemistry, 26, 2020
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6TA0
 | | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, NICOTINIC ACID, ... | | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
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6TD3
 | | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | | Descriptor: | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H. | | Deposit date: | 2019-11-07 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
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1TX4
 | | RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ... | | Authors: | Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J. | | Deposit date: | 1997-07-29 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue.
Nature, 389, 1997
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6N0K
 | | The complex of CCG-257081 bound to pirin | | Descriptor: | (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | | Deposit date: | 2018-11-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds
ACS Pharmacol Transl Sci, 2, 2019
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6K02
 | | Crystal structure of ceNAP1 core | | Descriptor: | Nucleosome Assembly Protein, ZINC ION | | Authors: | Liu, Y.R. | | Deposit date: | 2019-05-05 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Crystal structure of xlH2A-H2B
Structure, 2019
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6K7P
 | | Crystal structure of human AFF4-THD domain | | Descriptor: | AF4/FMR2 family member 4 | | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | | Deposit date: | 2019-06-08 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
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1X86
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2ZFX
 | | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a synthetic peptide containing the NR2 box of DRIP 205 | | Descriptor: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor | | Authors: | Kakuda, S, Takimoto-Kamimura, M. | | Deposit date: | 2008-01-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301
Acta Crystallogr.,Sect.F, 64, 2008
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6NV2
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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1XCG
 | | Crystal Structure of Human RhoA in complex with DH/PH fragment of PDZRHOGEF | | Descriptor: | Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | | Authors: | Derewenda, U, Oleksy, A, Stevenson, A.S, Korczynska, J, Dauter, Z, Somlyo, A.P, Otlewski, J, Somlyo, A.V, Derewenda, Z.S. | | Deposit date: | 2004-09-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of RhoA in complex with the DH/PH fragment of PDZRhoGEF, an activator of the Ca(2+) sensitization pathway in smooth muscle
Structure, 12, 2004
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6ZFD
 | | 14-3-3 zeta bound to the phosphorylated 18E6 C-terminus | | Descriptor: | 14-3-3 protein zeta/delta,Protein E6, GLYCEROL | | Authors: | Gogl, G, Tugaeva, K.V, Sluchanko, N.N, Trave, G. | | Deposit date: | 2020-06-17 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms.
Nat Commun, 12, 2021
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6ZFG
 | | 14-3-3 zeta chimera with 18E6 and fusicoccin | | Descriptor: | 14-3-3 protein zeta/delta,Protein E6, FUSICOCCIN, GLYCEROL | | Authors: | Gogl, G, Tugaeva, K, Sluchanko, N.N, Trave, G. | | Deposit date: | 2020-06-17 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Hierarchized phosphotarget binding by the seven human 14-3-3 isoforms.
Nat Commun, 12, 2021
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2PE6
 | | Non-covalent complex between human SUMO-1 and human Ubc9 | | Descriptor: | SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | | Authors: | Capili, A.D, Lima, C.D. | | Deposit date: | 2007-04-02 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Analysis of a Complex between SUMO and Ubc9 Illustrates Features of a Conserved E2-Ubl Interaction.
J.Mol.Biol., 369, 2007
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW8
 | | Crystal Structure of the WD repeat-containing protein 61 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 61 | | Authors: | Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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2AST
 | | Crystal structure of Skp1-Skp2-Cks1 in complex with a p27 peptide | | Descriptor: | BENZAMIDINE, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ... | | Authors: | Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P. | | Deposit date: | 2005-08-24 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
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6UCL
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6UCI
 | | Transcription factor DeltaFosB bZIP domain self-assembly, oxidized form | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein fosB | | Authors: | Yin, Z, Machius, M, Rudenko, G. | | Deposit date: | 2019-09-16 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-01 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Self-assembly of the bZIP transcription factor Delta FosB.
Curr Res Struct Biol, 2, 2020
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6ANU
 | | Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain | | Descriptor: | Actin, cytoplasmic 1, Spectrin beta chain, ... | | Authors: | Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H. | | Deposit date: | 2017-08-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
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