8AG0
 
 | | Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3A, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Milara, X, Perez-Dorado, J.I, Matthews, S.J. | | Deposit date: | 2022-07-18 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing.
Biochim Biophys Acta Proteins Proteom, 1871, 2022
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1ZFS
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4O10
 | | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
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5JI5
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5JLX
 | | AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | | Descriptor: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.748 Å) | | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
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1YZ5
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5JLT
 | | The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif | | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA | | Authors: | Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W. | | Deposit date: | 2016-04-27 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA.
Nucleic Acids Res., 46, 2018
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8PPR
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4OX2
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5KPL
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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2ATX
 | | Crystal Structure of the TC10 GppNHp complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein TC10 | | Authors: | Hemsath, L, Dvorsky, R, Fiegen, D, Carlier, M.F, Ahmadian, M.R. | | Deposit date: | 2005-08-26 | | Release date: | 2005-09-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | An electrostatic steering mechanism of Cdc42 recognition by Wiskott-Aldrich syndrome proteins
Mol.Cell, 20, 2005
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4RDU
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4QS8
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5KPK
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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4R0Z
 | | A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | | Descriptor: | FORMIC ACID, Protein humpback-2 | | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | | Deposit date: | 2014-08-03 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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1BX6
 | | CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE | | Descriptor: | BALANOL, CAMP-DEPENDENT PROTEIN KINASE | | Authors: | Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 1998-10-13 | | Release date: | 1999-04-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.
Biochemistry, 38, 1999
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8OSB
 | | TWIST1-TCF4-ALX4 complex on specific DNA | | Descriptor: | DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ... | | Authors: | Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J. | | Deposit date: | 2023-04-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | DNA-guided transcription factor cooperativity shapes face and limb mesenchyme.
Cell, 187, 2024
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2C6M
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | Descriptor: | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2005-11-10 | | Release date: | 2005-12-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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1BKX
 | | A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY | | Descriptor: | ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE | | Authors: | Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 1997-07-01 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility.
Structure, 5, 1997
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3CU8
 | | Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome | | Descriptor: | 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ... | | Authors: | Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C. | | Deposit date: | 2008-04-16 | | Release date: | 2009-05-05 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling.
Mol. Cell. Biol., 30, 2010
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5K35
 | | Structure of the Legionella effector, AnkB, in complex with human Skp1 | | Descriptor: | Ankyrin-repeat protein B, S-phase kinase-associated protein 1 | | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2016-05-19 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Mimicry by a Bacterial F Box Effector Hijacks the Host Ubiquitin-Proteasome System.
Structure, 25, 2017
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5JQ5
 | | Crystal structure of CDK2 in complex with inhibitor ICEC0942 | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, ACETATE ION, Cyclin-dependent kinase 2 | | Authors: | Hazel, P, Freemont, P.S. | | Deposit date: | 2016-05-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
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5JQ8
 | | Crystal structure of CDK2 in complex with inhibitor ICEC0943 | | Descriptor: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | Authors: | Hazel, P, Freemont, P.S. | | Deposit date: | 2016-05-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
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