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1KHU
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BU of 1khu by Molmil
Smad1 crystal structure reveals the details of BMP signaling pathway
Descriptor: SMAD1
Authors:Qin, B.Y, Lin, K.
Deposit date:2001-12-01
Release date:2001-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of Smad1 activation by receptor kinase phosphorylation.
Mol.Cell, 8, 2001
7N03
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BU of 7n03 by Molmil
Crystal structure of MTH1 in complex with compound 31
Descriptor: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-24
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
1KHW
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BU of 1khw by Molmil
Crystal Structure of Rabbit Hemorrhagic Disease Virus RNA-dependent RNA polymerase complexed with Mn2+
Descriptor: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Ng, K.K, Cherney, M.M, Vazquez, A.L, Machin, A, Alonso, J.M, Parra, F, James, M.N.
Deposit date:2001-12-01
Release date:2002-01-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of active and inactive conformations of a caliciviral RNA-dependent RNA polymerase.
J.Biol.Chem., 277, 2002
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
Descriptor: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-26
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
3PJA
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BU of 3pja by Molmil
Crystal structure of human C3PO complex
Descriptor: Translin, Translin-associated protein X
Authors:Huang, N, Zhang, H.
Deposit date:2010-11-09
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
6GLT
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BU of 6glt by Molmil
Crystal structure of hMTH1 D120N in the presence of acetate
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, DIMETHYL SULFOXIDE
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:in progress
To Be Published
1KPE
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BU of 1kpe by Molmil
PKCI-TRANSITION STATE ANALOG
Descriptor: ADENOSINE-5'-DITUNGSTATE, PROTEIN KINASE C INTERACTING PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
6V6L
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BU of 6v6l by Molmil
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
Descriptor: 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Bussiere, D.E, Fang, E, Shu, W.
Deposit date:2019-12-05
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5T0Z
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BU of 5t0z by Molmil
PelC from Geobacter metallireducens
Descriptor: Lipoprotein, putative
Authors:Marmont, L.S, Howell, P.L.
Deposit date:2016-08-17
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Oligomeric lipoprotein PelC guides Pel polysaccharide export across the outer membrane of Pseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1CTL
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BU of 1ctl by Molmil
STRUCTURE OF THE CARBOXY-TERMINAL LIM DOMAIN FROM THE CYSTEINE RICH PROTEIN CRP
Descriptor: AVIAN CYSTEINE RICH PROTEIN, ZINC ION
Authors:Perez-Alvarado, G.C, Miles, C, Michelsen, J.W, Louis, H.A, Winge, D.R, Beckerle, M.C, Summers, M.F.
Deposit date:1995-01-06
Release date:1995-06-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the carboxy-terminal LIM domain from the cysteine rich protein CRP.
Nat.Struct.Biol., 1, 1994
5H66
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BU of 5h66 by Molmil
Crystal structure of the Bacillus subtilis SMC head domain complexed with the cognate ScpA C-terminal domain
Descriptor: Chromosome partition protein Smc, Segregation and condensation protein A
Authors:Kamada, K, Hirano, T.
Deposit date:2016-11-11
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82194769 Å)
Cite:Overall Shapes of the SMC-ScpAB Complex Are Determined by Balance between Constraint and Relaxation of Its Structural Parts
Structure, 25, 2017
5TLU
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BU of 5tlu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine
Descriptor: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.223 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TM3
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BU of 5tm3 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
Descriptor: (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TML
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BU of 5tml by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
Descriptor: 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5T5X
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BU of 5t5x by Molmil
High resolution structure of mouse Cryptochrome 1
Descriptor: CHLORIDE ION, Cryptochrome-1
Authors:Michael, A.K, Tripathi, S, Partch, C.L.
Deposit date:2016-08-31
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5THS
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BU of 5ths by Molmil
Crystal Structure of G302A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5TII
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BU of 5tii by Molmil
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Descriptor: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Valentic, T.R, Tsai, S.C, Brady, S.F.
Deposit date:2016-10-03
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis.
ACS Chem. Biol., 11, 2016
3GOO
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BU of 3goo by Molmil
Strontium bound to the Holliday junction sequence d(TCGGCGCCGA)4
Descriptor: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', STRONTIUM ION
Authors:Naseer, A, Cardin, C.J.
Deposit date:2009-03-19
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Strontium bound to the Holliday junction sequence d(TCGGCGCCGA)4
To be Published
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5TLO
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BU of 5tlo by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen
Descriptor: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-11
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
4PL6
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BU of 4pl6 by Molmil
Structure of the chromodomain of MRG2 in complex with H3K4me3
Descriptor: At1g02740, H3K4me3
Authors:Liu, Y.C, Huang, Y.
Deposit date:2014-05-16
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Regulation of arabidopsis flowering by the histone mark readers MRG1/2 via interaction with CONSTANS to modulate FT expression.
Plos Genet., 10, 2014
5UKJ
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BU of 5ukj by Molmil
The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A, Mamo, M.
Deposit date:2017-01-23
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
6VNW
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BU of 6vnw by Molmil
Cryo-EM structure of apo-BBSome
Descriptor: BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, Bardet-Biedl syndrome 2 protein homolog, ...
Authors:Yang, S, Walz, T, Nachury, M, Chou, H.
Deposit date:2020-01-29
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Near-atomic structures of the BBSome reveal the basis for BBSome activation and binding to GPCR cargoes.
Elife, 9, 2020
7MFF
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BU of 7mff by Molmil
Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor
Descriptor: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
8K81
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BU of 8k81 by Molmil
Solution NMR Structure of ZF3 (fragment 346-396) from human Insulinoma-associated protein 1(INSM1)
Descriptor: Insulinoma-associated protein 1, ZINC ION
Authors:He, X.L, Yang, Y.H.
Deposit date:2023-07-28
Release date:2024-07-31
Method:SOLUTION NMR
Cite:Solution NMR Structure of ZF3 (fragment 346-396) from human Insulinoma-associated protein 1(INSM1)
To Be Published

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