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5HMK
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BU of 5hmk by Molmil
HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor: E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
Authors:Scapin, G.
Deposit date:2016-01-16
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5A3U
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BU of 5a3u by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
Descriptor: 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
Authors:Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
5D4E
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BU of 5d4e by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with 3'-dephosphate-CoA and CTP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, DEPHOSPHO COENZYME A, DIPHOSPHATE, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-08-07
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
5D4D
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BU of 5d4d by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with NAD and CTP
Descriptor: ADENOSINE MONOPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-08-07
Release date:2016-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
5D4C
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BU of 5d4c by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-08-07
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
5JXT
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BU of 5jxt by Molmil
Crystal structure of MtISWI bound with histone H4 tail
Descriptor: Chromatin-remodeling complex ATPase-like protein, Histone H4
Authors:Chen, Z, Yan, L.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Structure and regulation of the chromatin remodeller ISWI
Nature, 540, 2016
5JXR
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BU of 5jxr by Molmil
Crystal structure of MtISWI
Descriptor: CHLORIDE ION, Chromatin-remodeling complex ATPase-like protein
Authors:Chen, Z, Yan, L.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structure and regulation of the chromatin remodeller ISWI
Nature, 540, 2016
2LJ2
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BU of 2lj2 by Molmil
Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes
Descriptor: MerF
Authors:Das, B.B, Nothnagel, H.J, Lu, G.J, Son, W, Park, S, Tian, Y.B, Marassi, F.M, Opella, S.J.
Deposit date:2011-09-03
Release date:2012-01-18
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure determination of a membrane protein in proteoliposomes.
J.Am.Chem.Soc., 134, 2012
4EO6
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BU of 4eo6 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4EO8
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BU of 4eo8 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4F9G
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BU of 4f9g by Molmil
Crystal structure of STING complex with Cyclic di-GMP.
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4F9E
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BU of 4f9e by Molmil
Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING
Descriptor: Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
Deposit date:2014-08-11
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
3Q96
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BU of 3q96 by Molmil
B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
Descriptor: (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Sintchak, M.D, Aertgeerts, K, Yano, J.
Deposit date:2011-01-07
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
1HV9
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BU of 1hv9 by Molmil
STRUCTURE OF E. COLI GLMU: ANALYSIS OF PYROPHOSPHORYLASE AND ACETYLTRANSFERASE ACTIVE SITES
Descriptor: COBALT (II) ION, COENZYME A, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, ...
Authors:Olsen, L.R, Roderick, S.L.
Deposit date:2001-01-08
Release date:2001-02-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Escherichia coli GlmU pyrophosphorylase and acetyltransferase active sites.
Biochemistry, 40, 2001
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
Authors:Calabrese, M.F, Watson, E.R, Schulman, B.A.
Deposit date:2013-12-16
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
5I05
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BU of 5i05 by Molmil
Crystal structure of human BMP9 at 1.87 A resolution
Descriptor: GLYCEROL, Growth/differentiation factor 2
Authors:Saito, T, Bokhove, M, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
2IOY
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BU of 2ioy by Molmil
Crystal structure of Thermoanaerobacter tengcongensis ribose binding protein
Descriptor: Periplasmic sugar-binding protein, beta-D-ribopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2006-10-11
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The backbone structure of the thermophilic Thermoanaerobacter tengcongensis ribose binding protein is essentially identical to its mesophilic E. coli homolog.
Bmc Struct.Biol., 8, 2008
1XAT
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BU of 1xat by Molmil
STRUCTURE OF THE HEXAPEPTIDE XENOBIOTIC ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA
Descriptor: XENOBIOTIC ACETYLTRANSFERASE
Authors:Beaman, T.W, Sugantino, M, Roderick, S.L.
Deposit date:1998-03-11
Release date:1998-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the hexapeptide xenobiotic acetyltransferase from Pseudomonas aeruginosa.
Biochemistry, 37, 1998
2LNL
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BU of 2lnl by Molmil
Structure of human CXCR1 in phospholipid bilayers
Descriptor: C-X-C chemokine receptor type 1
Authors:Park, S, Das, B.B, Casagrande, F, Nothnagel, H, Chu, M, Kiefer, H, Maier, K, De Angelis, A, Marassi, F.M, Opella, S.J.
Deposit date:2011-12-31
Release date:2012-10-17
Last modified:2016-04-27
Method:SOLID-STATE NMR
Cite:Structure of the chemokine receptor CXCR1 in phospholipid bilayers.
Nature, 491, 2012
6K9K
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BU of 6k9k by Molmil
Monomeric human ATM (Ataxia telangiectasia mutated) kinase
Descriptor: Serine-protein kinase ATM
Authors:Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y.
Deposit date:2019-06-16
Release date:2019-12-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.82 Å)
Cite:Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
2FN9
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BU of 2fn9 by Molmil
Thermotoga maritima Ribose Binding Protein Unliganded Form
Descriptor: ribose ABC transporter, periplasmic ribose-binding protein
Authors:Cuneo, M.J, Changela, A, Tian, Y, Beese, L.S, Hellinga, H.W.
Deposit date:2006-01-10
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand-induced conformational changes in a thermophilic ribose-binding protein.
Bmc Struct.Biol., 8, 2008
5Z3L
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BU of 5z3l by Molmil
Structure of Snf2-nucleosome complex in apo state
Descriptor: DNA (167-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
5Z3V
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BU of 5z3v by Molmil
Structure of Snf2-nucleosome complex at shl-2 in ADP BeFx state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-05-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
5Z3O
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BU of 5z3o by Molmil
Structure of Snf2-nucleosome complex in ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019

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