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2MZX
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BU of 2mzx by Molmil
CCR5-ECL2 helical structure, residues Q186-T195
Descriptor: C-C chemokine receptor type 5
Authors:Abayev, M, Anglister, J.
Deposit date:2015-02-26
Release date:2015-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.
Febs J., 282, 2015
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
7N1Z
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BU of 7n1z by Molmil
NMR structure of native PnIA
Descriptor: Alpha-conotoxin PnIA
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N24
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BU of 7n24 by Molmil
NMR structure of native EpI
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
Descriptor: Alpha-conotoxin EpI-OH
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N26
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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N21
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BU of 7n21 by Molmil
NMR structure of AnIB-OH
Descriptor: Alpha-conotoxin AnIB
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N23
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BU of 7n23 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-OH
Descriptor: Alpha-conotoxin AnIB
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N22
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BU of 7n22 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-NH2
Descriptor: Alpha-conotoxin AnIB
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N0T
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BU of 7n0t by Molmil
NMR structure of EpI[Y(SO)315Y]-OH
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-26
Release date:2021-11-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N20
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BU of 7n20 by Molmil
NMR structure of native AnIB
Descriptor: Alpha-conotoxin AnIB
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
5F8V
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BU of 5f8v by Molmil
Crystal structure of PLP bound phosphoserine aminotransferase (PSAT) from Trichomonas vaginalis
Descriptor: Aminotransferase, class V family protein
Authors:Singh, R.K, Gourinath, S.
Deposit date:2015-12-09
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural investigation and inhibitory response of halide on phosphoserine aminotransferase from Trichomonas vaginalis.
Biochim.Biophys.Acta, 1860, 2016
2PMW
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BU of 2pmw by Molmil
The Crystal Structure of Proprotein convertase subtilisin kexin type 9 (PCSK9)
Descriptor: Proprotein convertase subtilisin/kexin type 9, SULFATE ION
Authors:Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C.
Deposit date:2007-04-23
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of PCSK9: A Regulator of Plasma LDL-Cholesterol.
Structure, 15, 2007
6BL0
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BU of 6bl0 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11
Descriptor: (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Jakob, C.G, Qiu, W.
Deposit date:2017-11-09
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
4MCN
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BU of 4mcn by Molmil
Human SOD1 C57S Mutant, Metal-free
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S.
Deposit date:2013-08-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
6XI6
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BU of 6xi6 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D.
Deposit date:2020-06-19
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6FTB
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BU of 6ftb by Molmil
Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin
Descriptor: (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ...
Authors:Punekar, A.S, Dowson, C.J, Roper, D.I.
Deposit date:2018-02-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Cell Surf, 2, 2018
1CLU
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BU of 1clu by Molmil
H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP
Descriptor: 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1
Authors:Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K.
Deposit date:1999-05-03
Release date:1999-05-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Guanosine triphosphatase stimulation of oncogenic Ras mutants.
Proc.Natl.Acad.Sci.USA, 96, 1999
1HBR
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BU of 1hbr by Molmil
R-STATE FORM OF CHICKEN HEMOGLOBIN D
Descriptor: PROTEIN (HEMOGLOBIN D), PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, E, Oliveira, M.A, Xie, Q, Ernst, S.R, Riggs, A.F, Hackert, M.L.
Deposit date:1998-12-06
Release date:1999-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural and functional analysis of the hemoglobin D component from chicken.
J.Biol.Chem., 274, 1999
1RVD
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BU of 1rvd by Molmil
H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP
Descriptor: 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1
Authors:Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K.
Deposit date:1999-05-03
Release date:1999-05-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Guanosine triphosphatase stimulation of oncogenic Ras mutants.
Proc.Natl.Acad.Sci.USA, 96, 1999
7U0R
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BU of 7u0r by Molmil
Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A.
Deposit date:2022-02-18
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo.
Nat.Chem., 15, 2023
3D5Q
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BU of 3d5q by Molmil
Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor
Descriptor: 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Liu, J, Sudom, A, Walker, N.P.C.
Deposit date:2008-05-16
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
Authors:Wang, Z, Johnstone, S, Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
2HHB
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BU of 2hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
4HHB
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BU of 4hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984

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