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6YIA
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BU of 6yia by Molmil
14-3-3 sigma in complex with SMAD2 pS465 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIB
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BU of 6yib by Molmil
14-3-3 sigma in complex with SMAD3 pS423 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YR7
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BU of 6yr7 by Molmil
14-3-3 sigma in complex with hDMX-342+367 peptide
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein Mdm4
Authors:Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
Deposit date:2020-04-19
Release date:2021-11-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
6YR5
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BU of 6yr5 by Molmil
14-3-3 sigma in complex with hDMX-367 peptide
Descriptor: 14-3-3 protein sigma, Protein Mdm4, SULFATE ION
Authors:Wolter, M, Srdanovic, S, Ottman, C, Warriner, S, Wilson, A.
Deposit date:2020-04-19
Release date:2021-11-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
6YR6
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BU of 6yr6 by Molmil
14-3-3 sigma in complex with hDM2-186 peptide
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
Authors:Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
Deposit date:2020-04-19
Release date:2021-11-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
6YW6
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BU of 6yw6 by Molmil
Cryo-EM structure of the ARP2/3 1B5CL isoform complex.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ARPC1B, Actin-related protein 2, ...
Authors:von Loeffelholz, O, Moores, C, Purkiss, A.
Deposit date:2020-04-29
Release date:2020-07-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of human Arp2/3 complexes provides structural insights into actin nucleation modulation by ARPC5 isoforms.
Biol Open, 9, 2020
6GXW
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BU of 6gxw by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4
Descriptor: (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-06-27
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.071 Å)
Cite:Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
1HV2
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BU of 1hv2 by Molmil
SOLUTION STRUCTURE OF YEAST ELONGIN C IN COMPLEX WITH A VON HIPPEL-LINDAU PEPTIDE
Descriptor: ELONGIN C, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR
Authors:Botuyan, M.V, Mer, G, Yi, G.-S, Koth, C.M, Case, D.A, Edwards, A.M, Chazin, W.J, Arrowsmith, C.H.
Deposit date:2001-01-05
Release date:2001-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and dynamics of yeast elongin C in complex with a von Hippel-Lindau peptide.
J.Mol.Biol., 312, 2001
7JSL
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BU of 7jsl by Molmil
Crystal structure of the DNA binding domain of human transcription factor ERF in the oxidized form, in complex with double-stranded DNA ACCGGAAGTG
Descriptor: DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ETS domain-containing transcription factor ERF
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2020-08-14
Release date:2020-11-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural Insight into the DNA Binding Function of Transcription Factor ERF.
Biochemistry, 2020
6W9K
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BU of 6w9k by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment
Descriptor: GLYCEROL, Glucocorticoid Receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2020-03-23
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9M
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BU of 6w9m by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment
Descriptor: GLYCEROL, Glucocorticoid Receptor, Nuclear receptor subfamily 0 group B member 2, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2020-03-23
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
Descriptor: Nucleosome-remodeling factor subunit BPTF
Authors:Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-08-17
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
6W9L
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BU of 6w9l by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment
Descriptor: (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one, GLYCEROL, Glucocorticoid Receptor, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2020-03-23
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
7TPT
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BU of 7tpt by Molmil
Single-particle Cryo-EM structure of Arp2/3 complex at branched-actin junction.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Ding, B, Narvaez-Ortiz, H.Y, Nolen, B.J, Chowdhury, S.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of Arp2/3 complex at a branched actin filament junction resolved by single-particle cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XWD
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BU of 6xwd by Molmil
14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif
Descriptor: 14-3-3 protein sigma, Amino peptidase N 38-46, CALCIUM ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-01-23
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60000193 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
7KJS
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BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
Descriptor: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:McTigue, M.A, He, Y, Ferre, R.A.
Deposit date:2020-10-26
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6INL
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BU of 6inl by Molmil
Crystal structure of CDK2 IN complex with Inhibitor CVT-313
Descriptor: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2
Authors:Talapati, S.R, Krishnamurthy, N.R.
Deposit date:2018-10-25
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313.
Acta Crystallogr.,Sect.F, 76, 2020
6ZCJ
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BU of 6zcj by Molmil
14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376
Authors:Soini, L, Leysen, S, Davis, J, Ottmann, C.
Deposit date:2020-06-11
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization.
Febs Lett., 595, 2021
6VTX
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BU of 6vtx by Molmil
Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA
Descriptor: DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ...
Authors:Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C.
Deposit date:2020-02-13
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
6W9E
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BU of 6w9e by Molmil
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
6WEJ
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BU of 6wej by Molmil
Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ...
Authors:Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
Deposit date:2020-04-02
Release date:2020-06-03
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
6WEK
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BU of 6wek by Molmil
Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ...
Authors:Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
Deposit date:2020-04-02
Release date:2020-06-03
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
1S1C
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BU of 1s1c by Molmil
Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rho-associated, ...
Authors:Dvorsky, R, Blumenstein, L, Vetter, I.R, Ahmadian, M.R.
Deposit date:2004-01-06
Release date:2004-02-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Interaction of ROCKI with the Switch Regions of RhoA.
J.Biol.Chem., 279, 2004
6WGG
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BU of 6wgg by Molmil
Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation)
Descriptor: Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ...
Authors:Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C.
Deposit date:2020-04-05
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (8.1 Å)
Cite:Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
7L3V
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BU of 7l3v by Molmil
PEPCK MMQX structure 120ms post-mixing with oxaloacetic acid
Descriptor: CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E.
Deposit date:2020-12-18
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021

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數據於2024-10-09公開中

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