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6E21
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BU of 6e21 by Molmil
Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A, Gerlits, O.O, Taylor, S.
Deposit date:2018-07-10
Release date:2019-04-03
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex.
Sci Adv, 5, 2019
6EDE
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BU of 6ede by Molmil
tRNA 2'-phosphotransferase
Descriptor: Probable RNA 2'-phosphotransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Shuman, S, Goldgur, Y, Banerjee, A.
Deposit date:2018-08-09
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Structure of tRNA splicing enzyme Tpt1 illuminates the mechanism of RNA 2'-PO4recognition and ADP-ribosylation.
Nat Commun, 10, 2019
4EDN
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BU of 4edn by Molmil
Crystal structure of beta-parvin CH2 domain in complex with paxillin LD1 motif
Descriptor: Beta-parvin, Paxillin, SULFATE ION
Authors:Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J.
Deposit date:2012-03-27
Release date:2012-08-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
2NWM
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BU of 2nwm by Molmil
Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin
Descriptor: Vinexin
Authors:Zhang, J, Yao, B, Wu, J, Shi, Y.
Deposit date:2006-11-15
Release date:2007-04-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of human vinexin and its interaction with vinculin peptides
Biochem.Biophys.Res.Commun., 357, 2007
6FJO
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BU of 6fjo by Molmil
Adenovirus species 26 knob protein, very high resolution
Descriptor: Fiber, GLUTAMIC ACID, GLYCEROL, ...
Authors:Rizkallah, P.J, Parker, A.L, Baker, A.T.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
6ERU
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BU of 6eru by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120
Descriptor: UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6EGW
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BU of 6egw by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117
Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EM7
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BU of 6em7 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, UPF0418 protein FAM164A, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-01
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.238 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ERW
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BU of 6erw by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EH3
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BU of 6eh3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190
To be published
6ESA
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BU of 6esa by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
4EDM
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BU of 4edm by Molmil
Crystal structure of beta-parvin CH2 domain
Descriptor: 1,2-ETHANEDIOL, Beta-parvin
Authors:Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J.
Deposit date:2012-03-27
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
2OZL
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BU of 2ozl by Molmil
Human pyruvate dehydrogenase S264E variant
Descriptor: MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component alpha subunit, ...
Authors:Ciszak, E.M, Dominiak, P.M, Patel, M.S, Korotchkina, L.G.
Deposit date:2007-02-26
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphorylation of Serine 264 Impedes Active Site Accessibility in the E1 Component of the Human Pyruvate Dehydrogenase Multienzyme Complex
Biochemistry, 46, 2007
2PN9
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BU of 2pn9 by Molmil
NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA modified aptamer
Descriptor: 5'-R(*GP*GP*AP*GP*CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*C)-3', RNA 16-mer with locked residues 9-10
Authors:Lebars, I, Richard, T, Di Primo, C, Toulme, J.-J.
Deposit date:2007-04-24
Release date:2007-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA-modified aptamer
Nucleic Acids Res., 35, 2007
2OOM
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BU of 2oom by Molmil
NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA/RNA aptamer
Descriptor: RNA 16-mer, TAR RNA element of HIV-1
Authors:Lebars, I, Richard, T, Di Primo, C, Toulme, J.J.
Deposit date:2007-01-26
Release date:2008-01-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA-modified aptamer
Nucleic Acids Res., 35, 2007
2Q8P
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BU of 2q8p by Molmil
Crystal Structure of selenomethionine labelled S. aureus IsdE complexed with heme
Descriptor: Iron-regulated surface determinant E, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grigg, J.C, Murphy, M.E.
Deposit date:2007-06-11
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Heme Coordination by Staphylococcus aureus IsdE.
J.Biol.Chem., 282, 2007
2N8U
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BU of 2n8u by Molmil
Solution Structure of the rNedd4 WW2 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2Q7Q
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BU of 2q7q by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-chlorobenzylamine.
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aralkylamine dehydrogenase heavy chain, Aralkylamine dehydrogenase light chain
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-06-07
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2QCS
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BU of 2qcs by Molmil
A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kim, C, Cheng, C.Y, Saldanha, A.S, Taylor, S.S.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PKA-I holoenzyme structure reveals a mechanism for cAMP-dependent activation.
Cell(Cambridge,Mass.), 130, 2007
2MYH
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BU of 2myh by Molmil
Omega-Tbo-IT1: selective inhibitor of insect calcium channels isolated from Tibellus oblongus spider venom
Descriptor: Omega-Tbo-IT1 toxin
Authors:Altukhov, D, Bozin, T, Bocharov, E, Kozlov, S, Mikov, A.
Deposit date:2015-01-23
Release date:2015-12-09
Method:SOLUTION NMR
Cite:omega-Tbo-IT1-New Inhibitor of Insect Calcium Channels Isolated from Spider Venom.
Sci Rep, 5, 2015
2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2QVF
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BU of 2qvf by Molmil
mouse E-cadherin domains 1,2
Descriptor: CALCIUM ION, Epithelial-cadherin (E-cadherin) (Uvomorulin) (Cadherin-1) (ARC-1) (CD324 antigen)
Authors:Carroll, K.J.
Deposit date:2007-08-08
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:E-cadherin domains 1,2
To be Published
7OPX
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BU of 7opx by Molmil
CryoEM structure of human enterovirus 70 native virion
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Fuzik, T, Plevka, P, Moravcova, J.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds.
J.Virol., 96, 2022

224004

數據於2024-08-21公開中

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