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5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
Descriptor: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
Authors:Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
Deposit date:2017-06-30
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XXQ
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BU of 5xxq by Molmil
Crystal structure of RBBP4: ZNF827 and its function in telomere
Descriptor: Histone-binding protein RBBP4, Zinc finger protein 827
Authors:Sun, A, Shi, Y.
Deposit date:2017-07-04
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of RBBP4: ZNF827 and its function in telomere
To Be Published
5Y1U
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BU of 5y1u by Molmil
Crystal structure of RBBP4 bound to AEBP2 RRK motif
Descriptor: Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2
Authors:Sun, A, Li, F, Wu, J, Shi, Y.
Deposit date:2017-07-21
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4
Protein Cell, 2017
5FN3
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BU of 5fn3 by Molmil
Cryo-EM structure of gamma secretase in class 1 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
1KQ2
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BU of 1kq2 by Molmil
Crystal Structure of an Hfq-RNA Complex
Descriptor: 5'-R(*AP*UP*UP*UP*UP*UP*G)-3', Host factor for Q beta
Authors:Schumacher, M.A, Pearson, R.F, Moller, T, Valentin-Hansen, P, Brennan, R.G.
Deposit date:2002-01-03
Release date:2002-07-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein.
EMBO J., 21, 2002
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
7OSR
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BU of 7osr by Molmil
Structure and folding of a 600-million-year-old nuclear coactivator binding domain suggest conservation of dynamic properties
Descriptor: Nuclear co-activator binding domain
Authors:Chi, C.
Deposit date:2021-06-09
Release date:2022-04-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved.
Commun Biol, 5, 2022
7OSW
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BU of 7osw by Molmil
Structure and folding of a 600-million-year-old nuclear coactivator binding domain suggest conservation of dynamic properties
Descriptor: NCBD
Authors:Chi, C.
Deposit date:2021-06-09
Release date:2022-04-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved.
Commun Biol, 5, 2022
5F9B
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BU of 5f9b by Molmil
X-ray crystal structure of PPARgamma in the complex with caulophyllogenin
Descriptor: Caulophyllogenin, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2015-12-09
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening of saponins and sapogenins from Medicago species as potential PPAR gamma agonists and X-ray structure of the complex PPAR gamma /caulophyllogenin.
Sci Rep, 6, 2016
7MQ2
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BU of 7mq2 by Molmil
C9A Streptococcus pneumoniae CstR in the reduced state, space group P21
Descriptor: Copper-sensing transcriptional repressor csoR
Authors:Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2021-05-05
Release date:2022-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
7MQ1
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BU of 7mq1 by Molmil
C9A Streptococcus pneumoniae CstR in the reduced state, space group C2
Descriptor: CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ...
Authors:Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2021-05-05
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
7PEQ
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BU of 7peq by Molmil
Model of the outer rings of the human nuclear pore complex
Descriptor: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ...
Authors:Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
Deposit date:2021-08-11
Release date:2021-10-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
2ICU
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BU of 2icu by Molmil
Crystal Structure of Hypothetical Protein YedK From Escherichia coli
Descriptor: Hypothetical protein yedK
Authors:Chen, L, Liu, Z.J, Li, Y, Zhao, M, Rose, J, Ebihara, A, Yokoyama, S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-09-13
Release date:2006-11-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Hypothetical Protein YedK From Escherichia coli
To be Published
5FQO
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BU of 5fqo by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH and magnesium
Descriptor: MAGNESIUM ION, PROTEIN ARGININE N-METHYLTRANSFERASE 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2015-12-14
Release date:2017-01-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal Strcutures of Prmt6 in Complex with Sah in Alternative Conformations
To be Published
5FQN
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BU of 5fqn by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH at 1.65 Angstroms
Descriptor: PROTEIN ARGININE METHYLTRANSFERASE 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2015-12-14
Release date:2017-01-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Crystal Strcutures of Prmt6 in Complex with Sah in Alternative Conformations
To be Published
3WBL
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BU of 3wbl by Molmil
Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor
Descriptor: ACETATE ION, Cyclin-dependent kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
Authors:Fujino, A, Fukushima, K, Kubota, T, Kosugi, T, Takimoto-Kamimura, M.
Deposit date:2013-05-20
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity.
J.SYNCHROTRON RADIAT., 20, 2013
5TBE
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BU of 5tbe by Molmil
Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2016-09-12
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ETH
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BU of 5eth by Molmil
RORy in complex with inverse agonist 3.
Descriptor: 1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide, Nuclear receptor ROR-gamma
Authors:Marcotte, D.M.
Deposit date:2015-11-17
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Discovery of biaryls as ROR gamma inverse agonists by using structure-based design.
Bioorg.Med.Chem.Lett., 26, 2016
6Y4U
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BU of 6y4u by Molmil
Crystal structure of p38 in complex with SR65
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6Y7Z
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BU of 6y7z by Molmil
Fragment KCL_914 in complex with MAP kinase p38-alpha
Descriptor: 1-(1-adamantyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment KCL_914 in complex with MAP kinase p38-alpha
To Be Published
6Y85
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BU of 6y85 by Molmil
Fragment KCL_1410 in complex with MAP kinase p38-alpha
Descriptor: 1-(1-adamantylmethyl)guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Fragment KCL_1410 in complex with MAP kinase p38-alpha
To Be Published
6Y4T
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BU of 6y4t by Molmil
Crystal structure of p38 in complex with SR63.
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-23
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
5FN4
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BU of 5fn4 by Molmil
Cryo-EM structure of gamma secretase in class 2 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
6YJC
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BU of 6yjc by Molmil
Crystal structure of p38alpha in complex with SR154
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-02
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74100935 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
5GID
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BU of 5gid by Molmil
Crystal structure of VDR in complex with DLAM-4 (C2 form)
Descriptor: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one, SRC1, Vitamin D3 receptor
Authors:Asano, L, Shimizu, T.
Deposit date:2016-06-23
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Regulation of the vitamin D receptor by vitamin D lactam derivatives.
Febs Lett., 590, 2016

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