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1XCG
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BU of 1xcg by Molmil
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
7MZ5
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BU of 7mz5 by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 in C2 state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
6SQ4
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BU of 6sq4 by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor U2
Descriptor: 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, IODIDE ION, Protein arginine N-methyltransferase 6
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of mouse PRMT6 in complex with inhibitors
To be published
6SQ3
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Crystal structure of mouse PRMT6 in complex with inhibitor U1
Descriptor: Protein arginine N-methyltransferase 6, [[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of mouse PRMT6 in complex with inhibitors
To Be Published
6SQI
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BU of 6sqi by Molmil
Crystal structure of mouse PRMT6 with C-terminal TEV cleavage site
Descriptor: CALCIUM ION, Protein arginine N-methyltransferase 6
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2019-09-04
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of mouse PRMT6 in complex with inhibitors
To Be Published
3QZT
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BU of 3qzt by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
Descriptor: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3QZS
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BU of 3qzs by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form I
Descriptor: Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
6TD3
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BU of 6td3 by Molmil
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
6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2019-11-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
Descriptor: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2019-12-02
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6QDR
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BU of 6qdr by Molmil
Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 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 (1.615 Å)
Cite:Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth.
Cell Chem Biol, 27, 2020
3ULE
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BU of 3ule by Molmil
Structure of Bos taurus Arp2/3 complex with bound inhibitor CK-869 and ATP
Descriptor: (2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, ...
Authors:Nolen, B.J, Han, M.
Deposit date:2011-11-10
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Bos taurus Arp2/3 complex with bound inhibitor CK-869 and ATP
To be Published
3UNK
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BU of 3unk by Molmil
CDK2 in complex with inhibitor YL5-083
Descriptor: 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION
Authors:Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E.
Deposit date:2011-11-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
6TA2
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BU of 6ta2 by Molmil
Human NAMPT in complex with nicotinic acid mononucleotide and phosphate
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINATE MONONUCLEOTIDE, ...
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 (1.68 Å)
Cite:Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
6T5F
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BU of 6t5f by Molmil
Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-195
Descriptor: 14-3-3 protein sigma, StARD1 peptide
Authors:Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A.
Deposit date:2019-10-16
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family.
Febs J., 287, 2020
7N0A
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BU of 7n0a by Molmil
Structure of Human Leukaemia Inhibitory Factor with Fab MSC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Leukemia inhibitory factor, ...
Authors:Raman, S, Bosch, A, Fransson, J, Julien, J.P.
Deposit date:2021-05-25
Release date:2022-06-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment.
Clin.Cancer Res., 29, 2023
3RO5
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BU of 3ro5 by Molmil
Crystal structure of influenza A virus nucleoprotein with ligand
Descriptor: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R.
Deposit date:2011-04-25
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
6SLW
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BU of 6slw by Molmil
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
6QHM
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BU of 6qhm by Molmil
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
3TDH
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BU of 3tdh by Molmil
Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ...
Authors:Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D.
Deposit date:2011-08-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
1CXZ
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BU of 1cxz by Molmil
CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PROTEIN (HIS-TAGGED TRANSFORMING PROTEIN RHOA(0-181)), ...
Authors:Maesaki, R, Ihara, K, Shimizu, T, Kuroda, S, Kaibuchi, K, Hakoshima, T.
Deposit date:1999-08-31
Release date:1999-10-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis of Rho effector recognition revealed by the crystal structure of human RhoA complexed with the effector domain of PKN/PRK1.
Mol.Cell, 4, 1999
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
2BJW
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BU of 2bjw by Molmil
PspF AAA domain
Descriptor: PSP OPERON TRANSCRIPTIONAL ACTIVATOR
Authors:Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X.
Deposit date:2005-02-08
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights Into the Activity of Enhancer-Binding Proteins
Science, 307, 2005
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
2BJV
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BU of 2bjv by Molmil
Crystal Structure of PspF(1-275) R168A mutant
Descriptor: PSP OPERON TRANSCRIPTIONAL ACTIVATOR
Authors:Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X.
Deposit date:2005-02-08
Release date:2005-03-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights Into the Activity of Enhancer-Binding Proteins
Science, 307, 2005

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