4XEI
 
 | | Orthorhombic isomorph of bovine Arp2/3 complex | | Descriptor: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | | Authors: | Jurgenson, C.J, Pollard, T.P. | | Deposit date: | 2014-12-23 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.874 Å) | | Cite: | Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
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7SA0
 | | Crystal structure of CDK2 liganded with compound EF4195 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-09-21 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2)
To Be Published
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5LU1
 | | Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6 | | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | | Deposit date: | 2016-09-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
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7S9X
 | | Crystal structure of CDK2 liganded with compound WN378 | | Descriptor: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-09-21 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2)
To Be Published
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8T85
 | | Structure of RssB bound to beryllofluoride | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Brugger, C, Schwartz, J, Deaconescu, A.M. | | Deposit date: | 2023-06-21 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
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5LX3
 | | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. | | Descriptor: | 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase | | Authors: | Bertrand, T, Marquette, J.P. | | Deposit date: | 2016-09-20 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782.
To Be Published
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7S84
 | | Crystal structure of CDK2 liganded with compound TW8972 | | Descriptor: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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7S7A
 | | Crystal structure of CDK2 liganded with compound EF3019 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-09-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
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7S85
 | | Crystal structure of CDK2 liganded with compound WN316 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
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4Y2H
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8K8E
 | | Human gamma-secretase in complex with a substrate mimetic | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shi, Y.G, Zhou, R, Wolfe, M.S. | | Deposit date: | 2023-07-29 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Familial Alzheimer mutations stabilize synaptotoxic gamma-secretase-substrate complexes.
Cell Rep, 43, 2024
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5CL1
 | | Complex structure of Norrin with human Frizzled 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Maltose-binding periplasmic protein,Norrin | | Authors: | Wang, Z, Ke, J, Shen, G, Cheng, Z, Xu, H.E, Xu, W. | | Deposit date: | 2015-07-16 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
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5MR7
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7SJ3
 | | Structure of CDK4-Cyclin D3 bound to abemaciclib | | Descriptor: | Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | | Authors: | Hilgers, M.T, Pelletier, L.A. | | Deposit date: | 2021-10-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of CDK4-Cyclin D3 bound to abemaciclib
To Be Published
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5CER
 | | Bd0816 Predatory Endopeptidase from Bdellovibrio bacteriovorus in complex with immunity protein Bd3460 | | Descriptor: | 1,2-ETHANEDIOL, Bd0816, Bd3460 | | Authors: | Lovering, A.L, Cadby, I.T, Lambert, C, Sockett, R.E. | | Deposit date: | 2015-07-07 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus.
Nat Commun, 6, 2015
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5MPH
 | | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | | Deposit date: | 2016-12-16 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.337 Å) | | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
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6P3W
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4Y3B
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | | Deposit date: | 2015-02-10 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5BWZ
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6P8F
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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7SA5
 | | Two-state solution NMR structure of Apo Pin1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Born, A, Vogeli, B. | | Deposit date: | 2021-09-22 | | Release date: | 2021-10-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
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5MPF
 | | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3'), Grainyhead-like protein 1 homolog | | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | | Deposit date: | 2016-12-16 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
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5MYC
 | | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | | Deposit date: | 2017-01-26 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structural interface between LRRK2 and 14-3-3 protein.
Biochem. J., 474, 2017
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5QS7
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641 | | Descriptor: | T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4XZS
 | | Crystal Structure of TRIAP1-MBP fusion | | Descriptor: | Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Miliara, X, Garnett, J.A, Abid-Ali, F, Perez-Dorado, I, Matthews, S.J. | | Deposit date: | 2015-02-04 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes.
Embo Rep., 16, 2015
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