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5N3P
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BU of 5n3p by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 1H-Indol-5-ol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1H-indol-5-ol, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3T
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BU of 5n3t by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 5-Chlorothiophene-2-sulfonamide
Descriptor: 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.209 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1G
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BU of 5n1g by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(2-Amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3G
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BU of 5n3g by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (R)-1,4-oxazepan-6-ol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{R})-1,4-oxazepan-6-ol, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1F
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BU of 5n1f by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-quinolin-5-ylpyridine-3-carboxamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, ~{N}-quinolin-5-ylpyridine-3-carboxamide
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3R
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BU of 5n3r by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(carbamoylamino)-4-methylsulfanylbutanoic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3L
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BU of 5n3l by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Noradrenaline, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3K
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BU of 5n3k by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule O-guanidino-L-homoserine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, L-CANAVANINE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3I
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BU of 5n3i by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule methyl (2S)-2-amino-3-phenylpropanoate
Descriptor: DIMETHYL SULFOXIDE, [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5C8W
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BU of 5c8w by Molmil
PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MALONIC ACID, SODIUM ION, ...
Authors:Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
Deposit date:2015-06-26
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
3MN3
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BU of 3mn3 by Molmil
An inhibited conformation for the protein kinase domain of the Saccharomyces cerevisiae AMPK homolog Snf1
Descriptor: Carbon catabolite-derepressing protein kinase
Authors:Rudolph, M.J, Amodeo, G.A, Tong, L.
Deposit date:2010-04-20
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:An inhibited conformation for the protein kinase domain of the Saccharomyces cerevisiae AMPK homolog Snf1.
Acta Crystallogr.,Sect.F, 66, 2010
5L0N
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BU of 5l0n by Molmil
PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with RP-cGMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-07-27
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.285 Å)
Cite:Structure of PKG I CNB-B bound to RP-cGMP
To Be Published
5J48
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BU of 5j48 by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-03-31
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
5JAX
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BU of 5jax by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
Descriptor: 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ...
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-04-12
Release date:2017-04-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
4GX4
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BU of 4gx4 by Molmil
AMP Complexes of Porcine Liver Fructose-1,6-bisphosphatase with mutation R22M
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP
To be Published
4GX6
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BU of 4gx6 by Molmil
AMP Complexes of Porcine Liver Fructose-1,6-bisphosphatase with Mutation E192Q
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP
To be Published
5JD7
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BU of 5jd7 by Molmil
PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP
Descriptor: 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1
Authors:Campbell, J.C, Sankaran, B, Kim, C.W.
Deposit date:2016-04-15
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
3R7T
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BU of 3r7t by Molmil
Crystal Structure of Adenylosuccinate Synthetase from Campylobacter jejuni
Descriptor: Adenylosuccinate synthetase, CHLORIDE ION, CITRIC ACID, ...
Authors:Kim, Y, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-03-23
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Adenylosuccinate Synthetase from Campylobacter jejuni
To be Published
7CIN
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BU of 7cin by Molmil
Crystal structure of the extended-spectrum class C beta-lactamase AmpC BER with the ordered R2 loop
Descriptor: Beta-lactamase, SULFATE ION
Authors:Jeong, B.G, Cha, S.S.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79006362 Å)
Cite:Crystal structure of AmpC BER and molecular docking lead to the discovery of broad inhibition activities of halisulfates against beta-lactamases.
Comput Struct Biotechnol J, 19, 2021
6I7L
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BU of 6i7l by Molmil
Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP
Descriptor: Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6RP4
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BU of 6rp4 by Molmil
CDT of SidD, deAMPylase from Legionella pneumophila
Descriptor: Adenosine monophosphate-protein hydrolase SidD, GLYCEROL, MAGNESIUM ION, ...
Authors:Tascon, I, Lucas, M, Rojas, A.L, Hierro, A.
Deposit date:2019-05-13
Release date:2020-10-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the membrane targeting domain of the Legionella deAMPylase SidD.
Plos Pathog., 16, 2020
6RRE
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BU of 6rre by Molmil
SidD, deAMPylase from Legionella pneumophila
Descriptor: Adenosine monophosphate-protein hydrolase SidD, MAGNESIUM ION
Authors:Tascon, I, Lucas, M, Rojas, A.L, Hierro, A.
Deposit date:2019-05-17
Release date:2020-10-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.586 Å)
Cite:Structural insight into the membrane targeting domain of the Legionella deAMPylase SidD.
Plos Pathog., 16, 2020
4V7T
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BU of 4v7t by Molmil
Crystal structure of the E. coli ribosome bound to chloramphenicol.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D.
Deposit date:2010-08-14
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1942 Å)
Cite:Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
5I22
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BU of 5i22 by Molmil
Amphiphysin SH3 in complex with Chikungunya virus nsP3 peptide
Descriptor: CHIKV nsP3 peptide, Myc box-dependent-interacting protein 1
Authors:Tossavainen, H, Aitio, O, Hellman, M, Saksela, K, Permi, P.
Deposit date:2016-02-04
Release date:2016-06-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of the High Affinity Interaction between the Alphavirus Nonstructural Protein-3 (nsP3) and the SH3 Domain of Amphiphysin-2.
J.Biol.Chem., 291, 2016
6UJA
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BU of 6uja by Molmil
Integrin alpha-v beta-8 in complex with pro-TGF-beta1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Campbell, M.G, Cormier, A, Cheng, Y, Nishimura, S.L.
Deposit date:2019-10-02
Release date:2020-02-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM Reveals Integrin-Mediated TGF-beta Activation without Release from Latent TGF-beta.
Cell, 180, 2020

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數據於2024-08-28公開中

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