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1IEO
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BU of 1ieo by Molmil
SOLUTION STRUCTURE OF MRIB-NH2
Descriptor: PROTEIN MRIB-NH2
Authors:Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J.
Deposit date:2001-04-10
Release date:2002-04-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
4AXO
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BU of 4axo by Molmil
Structure of the Clostridium difficile EutQ protein
Descriptor: ETHANOLAMINE UTILIZATION PROTEIN, MAGNESIUM ION
Authors:Pitts, A.C, Tuck, L.R, Faulds-Pain, A, Lewis, R.J, Marles-Wright, J.
Deposit date:2012-06-13
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Insight Into the Clostridium Difficile Ethanolamine Utilisation Microcompartment.
Plos One, 7, 2012
4AXI
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BU of 4axi by Molmil
Structure of the Clostridium difficile EutS protein
Descriptor: ETHANOLAMINE CARBOXYSOME STRUCTURAL PROTEIN, GLYCEROL
Authors:Pitts, A.C, Tuck, L.R, Faulds-Pain, A, Lewis, R.J, Marles-Wright, J.
Deposit date:2012-06-13
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insight Into the Clostridium Difficile Ethanolamine Utilisation Microcompartment.
Plos One, 7, 2012
4B2O
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BU of 4b2o by Molmil
Crystal structure of Bacillus subtilis YmdB, a global regulator of late adaptive responses.
Descriptor: FE (II) ION, PHOSPHATE ION, YMDB PHOSPHODIESTERASE
Authors:Newman, J.A, Diethmaier, C, Kovacs, A.T, Rodrigues, C, Kuipers, O.P, Stulke, J, Lewis, R.J.
Deposit date:2012-07-17
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The Ymdb Phosphodiesterase is a Global Regulator of Late Adaptive Responses in Bacillus Subtilis.
J.Bacteriol., 196, 2014
4DE8
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BU of 4de8 by Molmil
LytR-Cps2a-Psr family protein with bound octaprenyl monophosphate lipid
Descriptor: (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, Cps2A, DI(HYDROXYETHYL)ETHER
Authors:Eberhardt, A, Hoyland, C.N, Vollmer, D.V, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, L.S, Lewis, R.J, Vollmer, W.
Deposit date:2012-01-20
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
4DE9
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BU of 4de9 by Molmil
LytR-CPS2A-psr family protein YwtF (TagT) with bound octaprenyl pyrophosphate lipid
Descriptor: (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, Putative transcriptional regulator ywtF
Authors:Eberhardt, A, Hoyland, C.N, Vollmer, D, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, S, Lewis, R.J, Vollmer, W.
Deposit date:2012-01-20
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
1TTL
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BU of 1ttl by Molmil
Omega-conotoxin GVIA, a N-type calcium channel blocker
Descriptor: Omega-conotoxin GVIA
Authors:Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J.
Deposit date:2004-06-23
Release date:2004-07-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
1TR6
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BU of 1tr6 by Molmil
NMR solution structure of omega-conotoxin [K10]GVIA, a cyclic cysteine knot peptide
Descriptor: Omega-conotoxin GVIA
Authors:Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J.
Deposit date:2004-06-21
Release date:2004-07-13
Last modified:2011-10-05
Method:SOLUTION NMR
Cite:The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
1W53
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BU of 1w53 by Molmil
Kinase recruitment domain of the stress phosphatase RsbU
Descriptor: GLYCEROL, PHOSPHOSERINE PHOSPHATASE RSBU, XENON
Authors:Delumeau, O, Dutta, S, Brigulla, M, Kuhnke, G, Hardwick, S.W, Voelker, U, Yudkin, M.D, Lewis, R.J.
Deposit date:2004-08-05
Release date:2004-08-05
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional and Structural Characterization of Rsbu, a Stress Signaling Protein Phosphatase 2C
J.Biol.Chem., 279, 2004
8QHE
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BU of 8qhe by Molmil
Crystal structure IR-09
Descriptor: 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Levy, C.W.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
7B7R
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BU of 7b7r by Molmil
MEK1 in complex with compound 4
Descriptor: 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-11
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
7B3M
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BU of 7b3m by Molmil
MEK1 in complex with compound 6
Descriptor: 1~{H}-indol-2-yl(pyridin-3-yl)methanone, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-01
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
7B0U
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BU of 7b0u by Molmil
Stressosome complex from Listeria innocua
Descriptor: RsbR protein, RsbS protein
Authors:Miksys, A, Fu, L, Madej, M.G, Ziegler, C.
Deposit date:2020-11-22
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
7B9L
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BU of 7b9l by Molmil
MEK1 in complex with compound 23
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
7B94
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BU of 7b94 by Molmil
MEK1 in complex with compound 6
Descriptor: 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
8QFZ
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BU of 8qfz by Molmil
TSLP-Bicycle complex
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin
Authors:Petersen, J.
Deposit date:2023-09-05
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
6KN3
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BU of 6kn3 by Molmil
Structure of single disulfide peptide Czon1107-WT (minor conformer)
Descriptor: Czon1107-WT(Conformer B)
Authors:Sarma, S.P, Madhan Kumar, M.
Deposit date:2019-08-02
Release date:2020-04-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors.
J.Biol.Chem., 295, 2020
6KNO
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BU of 6kno by Molmil
Structure of single disulfide peptide Czon1107-P7A (minor conformer)
Descriptor: Czon1107-P7A(minor conformer)
Authors:Sarma, S.P, Madhan Kumar, M.
Deposit date:2019-08-06
Release date:2020-04-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors.
J.Biol.Chem., 295, 2020
6KN2
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BU of 6kn2 by Molmil
Structure of single disulfide peptide Czon1107-WT (major conformer)
Descriptor: Czon1107-WT (Conformer A)
Authors:Sarma, S.P, Madhan Kumar, M.
Deposit date:2019-08-02
Release date:2020-04-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors.
J.Biol.Chem., 295, 2020
6KMY
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BU of 6kmy by Molmil
Structure of single disulfide peptide Czon1107-P5A
Descriptor: Czon1107-P5A
Authors:Sarma, S.P, Madhan Kumar, M.
Deposit date:2019-08-01
Release date:2020-04-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors.
J.Biol.Chem., 295, 2020
6KNP
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BU of 6knp by Molmil
Structure of single disulfide peptide Czon1107-P7A(major conformer)
Descriptor: Czon1107-P7A(major)
Authors:Sarma, S.P, Madhan Kumar, M.
Deposit date:2019-08-06
Release date:2020-04-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors.
J.Biol.Chem., 295, 2020
5T90
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BU of 5t90 by Molmil
Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor
Descriptor: Acetylcholine-binding protein, LsIA
Authors:Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R.
Deposit date:2016-09-08
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor.
Sci Rep, 7, 2017
6X8R
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BU of 6x8r by Molmil
Pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor
Descriptor: SxIIIC peptide
Authors:Schroeder, C.I, McMahon, K.L.
Deposit date:2020-06-01
Release date:2020-10-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery, Pharmacological Characterisation and NMR Structure of the Novel μ-Conotoxin SxIIIC, a Potent and Irreversible Na V Channel Inhibitor.
Biomedicines, 8, 2020
6CEI
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BU of 6cei by Molmil
Solution NMR Structure of Conotoxin GXIA from Conus geographus
Descriptor: GXIA
Authors:Armstrong, D.A, Rosengren, K.J.
Deposit date:2018-02-12
Release date:2018-03-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Chemical Synthesis and NMR Solution Structure of Conotoxin GXIA from Conus geographus .
Mar Drugs, 19, 2021
6CEG
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BU of 6ceg by Molmil
Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri
Descriptor: conotoxin MoVIB
Authors:Rosengren, K.J.
Deposit date:2018-02-11
Release date:2018-03-07
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides.
Sci Rep, 8, 2018

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