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4R0Z
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BU of 4r0z by Molmil
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
6ES2
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BU of 6es2 by Molmil
Structure of CDX2-DNA(CAA)
Descriptor: DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2017-10-19
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
7XQV
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BU of 7xqv by Molmil
The complex of nanobody Rh57 binding to GTP-bound RhoA active form
Descriptor: ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zhang, Y.R, Liu, R, Ding, Y.
Deposit date:2022-05-09
Release date:2022-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural insights into the binding of nanobody Rh57 to active RhoA-GTP.
Biochem.Biophys.Res.Commun., 616, 2022
6EI6
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BU of 6ei6 by Molmil
CC2D1B coordinates ESRCT-III activity during the mitotic reformation of the nuclear envelope
Descriptor: Coiled-coil and C2 domain-containing protein 1-like, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Ventimiglia, L.N, Cuesta-Geijo, M.A, Martinelli, N, Caballe, A, Macheboeuf, P, Miguet, N, Parnham, I.M, Olmos, Y, Carlton, J.G, Weissehorn, W, martin-Serrano, J.
Deposit date:2017-09-18
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:CC2D1B Coordinates ESCRT-III Activity during the Mitotic Reformation of the Nuclear Envelope.
Dev. Cell, 47, 2018
2PHE
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BU of 2phe by Molmil
Model for VP16 binding to PC4
Descriptor: Alpha trans-inducing protein, TRANSCRIPTIONAL COACTIVATOR PC4
Authors:Jonker, H.R.A, Wechselberger, R.W, Boelens, R, Folkers, G.E, Kaptein, R.
Deposit date:2007-04-11
Release date:2007-04-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Properties of the Promiscuous VP16 Activation Domain
Biochemistry, 44, 2005
6GUB
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BU of 6gub by Molmil
CDK2/CyclinA in complex with Flavopiridol
Descriptor: 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GXA
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BU of 6gxa by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2
Descriptor: (~{E})-3-(2-chlorophenyl)-~{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 (2.1 Å)
Cite:Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
4S3O
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BU of 4s3o by Molmil
PCGF5-RING1B-UbcH5c complex
Descriptor: E3 ubiquitin-protein ligase RING2, Polycomb group RING finger protein 5, Ubiquitin-conjugating enzyme E2 D3, ...
Authors:Taherbhoy, A.M, Cochran, A.G.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:BMI1-RING1B is an autoinhibited RING E3 ubiquitin ligase.
Nat Commun, 6, 2015
4PSF
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BU of 4psf by Molmil
PIH1D1 N-terminal domain
Descriptor: PIH1 domain-containing protein 1
Authors:Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z.
Deposit date:2014-03-07
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex.
Cell Rep, 7, 2014
4PTG
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BU of 4ptg by Molmil
Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
6GSA
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BU of 6gsa by Molmil
Core Centromere Binding Factor 3 (CBF3) with monomeric Ndc10
Descriptor: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
Authors:Zhang, W.J, Lukoynova, N, Vaughan, C.K.
Deposit date:2018-06-13
Release date:2018-08-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Insights into Centromere DNA Bending Revealed by the Cryo-EM Structure of the Core Centromere Binding Factor 3 with Ndc10.
Cell Rep, 24, 2018
4QA4
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BU of 4qa4 by Molmil
Crystal structure of H334R HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
7UXI
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BU of 7uxi by Molmil
Structure of CDK2 in complex with FP19711, a Helicon Polypeptide
Descriptor: AMINO GROUP, Cyclin-dependent kinase 2, FP19711, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXK
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BU of 7uxk by Molmil
Structure of CDK2 in complex with FP24322, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, FP24322, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
4QA0
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BU of 4qa0 by Molmil
Crystal structure of C153F HDAC8 in complex with SAHA
Descriptor: GLYCEROL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
7UCC
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BU of 7ucc by Molmil
Transcription factor FosB/JunD bZIP domain in the reduced form
Descriptor: CHLORIDE ION, ETHANOL, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
7UCD
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BU of 7ucd by Molmil
Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
Descriptor: 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
4RAU
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BU of 4rau by Molmil
crystal structure of RTOFab in complex with human PF4
Descriptor: Platelet factor 4, RTOFab heavy chain, RTOFab light chain
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-11
Release date:2016-03-16
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:crystal structure of RTOFab in complex with platelet factor 4
To be Published
4QPP
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BU of 4qpp by Molmil
The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE
Descriptor: 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ...
Authors:Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-24
Release date:2014-08-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421
To be Published
4RA2
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BU of 4ra2 by Molmil
PP2Ca
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P.
Deposit date:2014-09-09
Release date:2015-05-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The catalytic role of the M2 metal ion in PP2Ca
SCI REP, 2015
4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
Descriptor: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-12
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
7XXH
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BU of 7xxh by Molmil
Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
4S04
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BU of 4s04 by Molmil
Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA (25-MER), DNA-binding transcriptional regulator BasR, ...
Authors:Hsiao, C.D, Weng, T.H, Li, Y.C.
Deposit date:2014-12-30
Release date:2015-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA.
Nat Commun, 6, 2015
1E6C
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BU of 1e6c by Molmil
K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Maclean, J, Krell, T, Coggins, J.R, Lapthorn, A.J.
Deposit date:2000-08-10
Release date:2001-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and X-Ray Crystallographic Studies on Shikimate Kinase: The Important Structural Role of the P-Loop Lysine
Protein Sci., 10, 2001
1HN4
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BU of 1hn4 by Molmil
PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ...
Authors:Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J.
Deposit date:2000-12-06
Release date:2001-12-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure.
Biochemistry, 40, 2001

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