Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7Q6S
DownloadVisualize
BU of 7q6s by Molmil
Keap1 compound complex
Descriptor: (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1
Authors:Johansson, P.
Deposit date:2021-11-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q6Q
DownloadVisualize
BU of 7q6q by Molmil
Keap1 compound complex
Descriptor: (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
Authors:Johansson, P.
Deposit date:2021-11-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q96
DownloadVisualize
BU of 7q96 by Molmil
Keap1 compound complex
Descriptor: 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
Authors:Johansson, P.
Deposit date:2021-11-12
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q8R
DownloadVisualize
BU of 7q8r by Molmil
Keap1 compound complex
Descriptor: 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
Authors:Johansson, P.
Deposit date:2021-11-11
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
8QFZ
DownloadVisualize
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
2YG0
DownloadVisualize
BU of 2yg0 by Molmil
CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-04-11
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
2YFZ
DownloadVisualize
BU of 2yfz by Molmil
CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-04-11
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
2YB7
DownloadVisualize
BU of 2yb7 by Molmil
CBM62 in complex with 6-alpha-D-Galactosyl-mannotriose
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, McKee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-03-02
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
6CEI
DownloadVisualize
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
DownloadVisualize
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
2YFU
DownloadVisualize
BU of 2yfu by Molmil
CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-04-08
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
6PPC
DownloadVisualize
BU of 6ppc by Molmil
Solution structure of conotoxin MiXXVIIA
Descriptor: Conopeptide phi-MiXXVIIA
Authors:Daly, N.L, Dekan, Z, Jin, A.H, Alewood, P.F.
Deposit date:2019-07-06
Release date:2019-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conotoxin phi-MiXXVIIA from the Superfamily G2 Employs a Novel Cysteine Framework that Mimics Granulin and Displays Anti-Apoptotic Activity.
Angew. Chem. Int. Ed. Engl., 56, 2017
6OVJ
DownloadVisualize
BU of 6ovj by Molmil
NMR structure of truncated alpha conotoxin SII: Ile-SII(3-14)
Descriptor: Alpha-conotoxin S2
Authors:Chin, Y.K.-Y, Wilhelm, P, Alewood, P.F.
Deposit date:2019-05-08
Release date:2020-05-06
Last modified:2023-10-11
Method:SOLUTION NMR
Cite:Cysteine-Rich alpha-Conotoxin SII Displays Novel Interactions at the Muscle Nicotinic Acetylcholine Receptor.
Acs Chem Neurosci, 13, 2022
5T3M
DownloadVisualize
BU of 5t3m by Molmil
Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7
Descriptor: Mu-theraphotoxin-Hs2a
Authors:Rahnama, S, Sharma, G, Mobli, M.
Deposit date:2016-08-25
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure, dynamics and selectivity profile of a NaV1.7 potency-optimised huwentoxin-IV variant.
PLoS ONE, 12, 2017
5T4R
DownloadVisualize
BU of 5t4r by Molmil
NMR solution structure of the Nav1.7 selective spider venom-derived peptide Pn3a
Descriptor: Mu-theraphotoxin-Pn3a
Authors:Rosengren, K.J, Armstrong, D.A, Vetter, I.
Deposit date:2016-08-30
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Pharmacological characterisation of the highly Na V 1.7 selective spider venom peptide Pn3a.
Sci Rep, 7, 2017
4JID
DownloadVisualize
BU of 4jid by Molmil
Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-free
Descriptor: CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein
Authors:Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-03-05
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition.
Structure, 22, 2014
4MPH
DownloadVisualize
BU of 4mph by Molmil
Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ...
Authors:Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.0301 Å)
Cite:Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition.
Structure, 22, 2014
2N7F
DownloadVisualize
BU of 2n7f by Molmil
NMR solution structure of muO-conotoxin MfVIA
Descriptor: muO-conotoxin MfVIA
Authors:Schroeder, C.I, Mobli, M.
Deposit date:2015-09-09
Release date:2016-04-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Development of a mu O-Conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Sodium Channel NaV1.8.
J.Biol.Chem., 291, 2016
2MXM
DownloadVisualize
BU of 2mxm by Molmil
NMR solution structure of TRTX-Tp1a from the tarantula Thrixopelma pruriens
Descriptor: entity
Authors:Rosengren, K.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], a New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma pruriens.
Mol.Pharmacol., 88, 2015
2MT7
DownloadVisualize
BU of 2mt7 by Molmil
Solution structure of spider-venom peptide Hs1a
Descriptor: Hs1a
Authors:Klint, J.K, King, G.F, Mobli, M.
Deposit date:2014-08-14
Release date:2015-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity
To be Published
2MPQ
DownloadVisualize
BU of 2mpq by Molmil
Solution structure of the sodium channel toxin Hd1a
Descriptor: Hd1a
Authors:Klint, J.K, Mobli, M, King, G.F.
Deposit date:2014-06-01
Release date:2015-03-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Seven novel modulators of the analgesic target NaV 1.7 uncovered using a high-throughput venom-based discovery approach.
Br.J.Pharmacol., 172, 2015
2KRA
DownloadVisualize
BU of 2kra by Molmil
Solution structure of Bv8
Descriptor: Prokineticin Bv8
Authors:Daly, N.L, Craik, D.J, Mobli, M.
Deposit date:2009-12-14
Release date:2010-08-11
Last modified:2014-04-23
Method:SOLUTION NMR
Cite:Chemical synthesis and structure of the prokineticin Bv8
CHEMBIOCHEM, 11, 2010
2KNP
DownloadVisualize
BU of 2knp by Molmil
Isolation and characterization of peptides from Momordica cochinchinensis seeds.
Descriptor: MCoCC-1
Authors:Daly, N.L, Chan, L.
Deposit date:2009-08-30
Release date:2009-11-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Isolation and characterization of peptides from Momordica cochinchinensis seeds.
J.Nat.Prod., 72, 2009
7N26
DownloadVisualize
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
7N1Z
DownloadVisualize
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

221051

數據於2024-06-12公開中

PDB statisticsPDBj update infoContact PDBjnumon