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5HCU
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BU of 5hcu by Molmil
Crystal structure of mouse acetylchoinesterase inhibited by DFP
Descriptor: Acetylcholinesterase
Authors:Tran, T.H, Tong, L.
Deposit date:2016-01-04
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4151 Å)
Cite:Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates.
Chembiochem, 16, 2015
5H6B
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BU of 5h6b by Molmil
Crystal structure of a thermostable lipase from Marine Streptomyces
Descriptor: ACETATE ION, IMIDAZOLE, Putative secreted lipase, ...
Authors:Hou, S, Zhao, Z, Liu, J.
Deposit date:2016-11-11
Release date:2017-09-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for thermostability and regiospecificity
FEBS J., 284, 2017
5FHG
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BU of 5fhg by Molmil
Structure of unliganded Pif1 from Bacteroides sp
Descriptor: Uncharacterized protein
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
7TYH
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BU of 7tyh by Molmil
Human Amylin2 Receptor in complex with Gs and human calcitonin peptide
Descriptor: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-13
Release date:2022-03-23
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYY
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BU of 7tyy by Molmil
Human Amylin2 Receptor in complex with Gs and salmon calcitonin peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-14
Release date:2022-03-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
2CPK
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BU of 2cpk by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CYCLIC ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE
Descriptor: PEPTIDE INHIBITOR 20-MER, cAMP-DEPENDENT PROTEIN KINASE, CATALYTIC SUBUNIT
Authors:Knighton, D.R, Zheng, J, Teneyck, L.F, Ashford, V.A, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
Deposit date:1992-10-21
Release date:1993-01-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase.
Science, 253, 1991
6C0U
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BU of 6c0u by Molmil
Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46
Descriptor: DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ...
Authors:Qin, L, Sankaran, B, Kim, C.
Deposit date:2018-01-02
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
7TYX
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BU of 7tyx by Molmil
Human Amylin2 Receptor in complex with Gs and rat amylin peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
5M0C
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BU of 5m0c by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LR6
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BU of 5lr6 by Molmil
Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-18
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
To be published
6DC2
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BU of 6dc2 by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase C301S variant
Descriptor: Carbon monoxide dehydrogenase, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2018-05-04
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
5LQK
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BU of 5lqk by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-[(4-methylphenyl)methyl]benzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of COMT
To be published
5M75
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BU of 5m75 by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative
Descriptor: 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands.
To be Published
5MHI
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BU of 5mhi by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (5-chloranyl-2-methoxy-phenyl)methylazanium, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5NTJ
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BU of 5ntj by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-04-28
Release date:2018-05-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
5O0E
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BU of 5o0e by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, RKp120, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-05-16
Release date:2018-05-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5A63
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BU of 5a63 by Molmil
Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
5FHD
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BU of 5fhd by Molmil
Structure of Bacteroides sp Pif1 complexed with tailed dsDNA resulting in ssDNA bound complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*CP*CP*GP*GP*GP*GP*CP*CP*GP*CP*GP*C)-3'), MAGNESIUM ION, ...
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2019-09-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
2B57
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BU of 2b57 by Molmil
Guanine Riboswitch C74U mutant bound to 2,6-diaminopurine
Descriptor: 65-MER, 9H-PURINE-2,6-DIAMINE, ACETATE ION, ...
Authors:Gilbert, S.D, Stoddard, C.D, Wise, S.J, Batey, R.T.
Deposit date:2005-09-27
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain.
J.Mol.Biol., 359, 2006
5FN3
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BU of 5fn3 by Molmil
Cryo-EM structure of gamma secretase in class 1 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
2B0H
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BU of 2b0h by Molmil
Solution structure of VBS3 fragment of talin
Descriptor: Talin-1
Authors:Gingras, A.R, Vogel, K.P, Steinhoff, H.J, Ziegler, W.H, Patel, B, Emsley, J, Critchley, D.R, Roberts, G.C, Barsukov, I.L.
Deposit date:2005-09-14
Release date:2006-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod
Biochemistry, 45, 2006
2B2T
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BU of 2b2t by Molmil
Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and phosphothreonine 3
Descriptor: Chromodomain-helicase-DNA-binding protein 1, Histone H3 tail
Authors:Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S.
Deposit date:2005-09-19
Release date:2005-12-27
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
5O5M
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BU of 5o5m by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117
Descriptor: CHLORIDE ION, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-06-02
Release date:2018-06-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019

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