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1AL7
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BU of 1al7 by Molmil
THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE WITH BOUND ACTIVE-SITE INHIBITORS
Descriptor: 4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE, FLAVIN MONONUCLEOTIDE, GLYCOLATE OXIDASE
Authors:Stenberg, K, Lindqvist, Y.
Deposit date:1997-06-12
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures of glycolate oxidase with bound active-site inhibitors.
Protein Sci., 6, 1997
3LII
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BU of 3lii by Molmil
Recombinant human acetylcholinesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, SULFATE ION
Authors:Dvir, H, Rosenberry, T, Harel, M, Silman, I, Sussman, J.
Deposit date:2010-01-25
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Acetylcholinesterase: From 3D structure to function.
Chem.Biol.Interact, 187, 2010
1AG3
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BU of 1ag3 by Molmil
DUPLEX OLIGODEOXYNUCLEOTIDE CONTAINING PROPANODEOXYGUANOSINE OPPOSITE A TWO-BASE DELETION, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*AP*TP*CP*GP*CP*PP*CP*GP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*CP*CP*GP*CP*GP*AP*T)-3')
Authors:Weisenseel, J.P, Stone, M.P.
Deposit date:1997-03-31
Release date:1997-07-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a duplex oligodeoxynucleotide containing propanodeoxyguanosine opposite a two-base deletion in the (CpG)3 frame shift hotspot of Salmonella typhimurium hisD3052 determined by 1H NMR and restrained molecular dynamics.
Biochemistry, 34, 1995
6CQX
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BU of 6cqx by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+)
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J.
Deposit date:2018-03-16
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
1AM0
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BU of 1am0 by Molmil
AMP RNA APTAMER COMPLEX, NMR, 8 STRUCTURES
Descriptor: ADENOSINE MONOPHOSPHATE, RNA APTAMER
Authors:Jiang, F, Kumar, R.A, Jones, R.A, Patel, D.J.
Deposit date:1997-06-19
Release date:1997-07-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Basis of RNA Folding and Recognition in an AMP-RNA Aptamer Complex
Nature, 382, 1996
3LNH
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BU of 3lnh by Molmil
Crystal structure of E-cadherin EC12 W2A
Descriptor: CALCIUM ION, Cadherin-1
Authors:Harrison, O, Jin, X, Shapiro, L.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two-step adhesive binding by classical cadherins.
Nat.Struct.Mol.Biol., 17, 2010
7NMI
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BU of 7nmi by Molmil
Transactivation domain of p53 in complex with S100P, using annexin A2 as crystallization chaperone
Descriptor: CALCIUM ION, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Ecsedi, P, Nyitray, L.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Transactivation domain of p53 in complex with S100P using annexin A2 as a crystallization chaperone
To Be Published
5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
7NBU
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BU of 7nbu by Molmil
Structure of the HigB1 toxin mutant K95A from Mycobacterium tuberculosis (Rv1955) and its target, the cspA mRNA, on the E. coli Ribosome.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Giudice, E, Mansour, M, Chat, S, D'Urso, G, Gillet, R, Genevaux, P.
Deposit date:2021-01-27
Release date:2022-03-02
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Substrate recognition and cryo-EM structure of the ribosome-bound TAC toxin of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
5ERD
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BU of 5erd by Molmil
Crystal structure of human Desmoglein-2 ectodomain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brasch, J, Harrison, O.J, Shapiro, L.
Deposit date:2015-11-13
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of adhesive binding by desmocollins and desmogleins.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HF8
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BU of 5hf8 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
Deposit date:2016-01-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
7SCK
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BU of 7sck by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with a 7-sugar oligosaccharide acceptor analog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ...
Authors:Li, H, Li, H.
Deposit date:2021-09-28
Release date:2022-09-28
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
4YXG
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BU of 4yxg by Molmil
F96Y Mutant of Plasmodium Falciparum Triosephosphate Isomerase
Descriptor: 1,2-ETHANEDIOL, Triosephosphate isomerase
Authors:Pareek, V, Balaram, P, Murthy, M.R.N.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme
Chembiochem, 17, 2016
7N0E
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BU of 7n0e by Molmil
Co-complex of the histidine kinase region of RetS and the dimerization and histidine phosphotransfer domain of GacS
Descriptor: Histidine kinase
Authors:Ryan Kaler, K, Schubot, F.D, Nix, J.
Deposit date:2021-05-25
Release date:2022-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RetS inhibits Pseudomonas aeruginosa biofilm formation by disrupting the canonical histidine kinase dimerization interface of GacS.
J.Biol.Chem., 297, 2021
6M4V
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BU of 6m4v by Molmil
Crystal structure of MBP fused split FKBP in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
7SCJ
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BU of 7scj by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with a 4-sugar oligosaccharide acceptor analog
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, ...
Authors:Li, H, Li, H.
Deposit date:2021-09-28
Release date:2022-09-28
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
7SCH
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BU of 7sch by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer
Descriptor: Exostosin-1, Exostosin-2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, H, Li, H.
Deposit date:2021-09-28
Release date:2022-09-28
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
7NAK
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BU of 7nak by Molmil
Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD)
Descriptor: NAD(+) hydrolase SARM1, [[(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})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
5EIE
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BU of 5eie by Molmil
mAChE-TZ2 complex
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bourne, Y, Marchot, P.
Deposit date:2015-10-29
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
Descriptor: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
5EHQ
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BU of 5ehq by Molmil
mAChE-anti TZ2PA5 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, ...
Authors:Bourne, Y, Marchot, P.
Deposit date:2015-10-28
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
Descriptor: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
8C00
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BU of 8c00 by Molmil
Enp1TAP-S21_A population of yeast small ribosomal subunit precursors depleted of rpS21/eS21
Descriptor: 18S rRNA precursor, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ...
Authors:Milkereit, P, Poell, G.
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Impact of the yeast S0/uS2-cluster ribosomal protein rpS21/eS21 on rRNA folding and the architecture of small ribosomal subunit precursors.
Plos One, 18, 2023
4S34
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BU of 4s34 by Molmil
ERK2 (I84A) in complex with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published

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