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3MT9
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BU of 3mt9 by Molmil
Glycogen phosphorylase complexed with 4-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MQF
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BU of 3mqf by Molmil
Glycogen phosphorylase complexed with 4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-28
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MRT
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BU of 3mrt by Molmil
Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MSC
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BU of 3msc by Molmil
Glycogen phosphorylase complexed with 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The binding of beta-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.
Bioorg.Med.Chem., 18, 2010
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
5JLX
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BU of 5jlx by Molmil
AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8
Descriptor: DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
4WYD
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BU of 4wyd by Molmil
Adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Mycobacterium tuberculosis complexed with a fragment from DSF screening
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Dai, R, Finzel, B.C, Geders, T.W.
Deposit date:2014-11-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
8BLJ
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BU of 8blj by Molmil
Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1), apo state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Heroven, C, Malinauskas, T, Aricescu, A.R.
Deposit date:2022-11-09
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
5IRR
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BU of 5irr by Molmil
Crystal structure of Septin GTPase domain from Chlamydomonas reinhardtii
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Septin-like protein
Authors:Pinto, A.P.A, Pereira, H.M, Navarro, M.V.A.S, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U.
Deposit date:2016-03-14
Release date:2017-04-26
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Filaments and fingers: Novel structural aspects of the single septin from Chlamydomonas reinhardtii.
J. Biol. Chem., 292, 2017
3QBH
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BU of 3qbh by Molmil
Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors
Descriptor: (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1
Authors:Rondeau, J.M.
Deposit date:2011-01-13
Release date:2011-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7TYL
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BU of 7tyl by Molmil
Calcitonin Receptor in complex with Gs and rat amylin peptide, bypass motif
Descriptor: Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
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
7TZF
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BU of 7tzf by Molmil
Human Amylin3 Receptor in complex with Gs and rat amylin peptide
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-15
Release date:2022-03-23
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
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
7TYO
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BU of 7tyo by Molmil
Calcitonin receptor in complex with Gs and human calcitonin peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin, ...
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:2022-04-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYN
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BU of 7tyn by Molmil
Calcitonin Receptor in complex with Gs and salmon calcitonin peptide
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-13
Release date:2022-03-30
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (2.6 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:2022-04-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYF
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BU of 7tyf by Molmil
Human Amylin1 Receptor in complex with Gs and rat amylin peptide
Descriptor: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
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 (2.2 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYW
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BU of 7tyw by Molmil
Human Amylin1 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:2022-04-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
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:2022-04-06
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7TYI
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BU of 7tyi by Molmil
Calcitonin Receptor in complex with Gs and rat amylin peptide, CT-like state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:2022-03-30
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
3MS7
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BU of 3ms7 by Molmil
Glycogen phosphorylase complexed with 2-chlorobenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-29
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
8R4D
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BU of 8r4d by Molmil
Focused map on the Roc-COR domains of the Roco protein from C. tepidum in the GTP state bound to the activating Nanobody NbRoco1
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, NbRoco1, Rab family protein
Authors:Galicia, C, Versees, W.
Deposit date:2023-11-13
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural insights into the GTP-driven monomerization and activation of a bacterial LRRK2 homolog using allosteric nanobodies.
Elife, 13, 2024
4F5L
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BU of 4f5l by Molmil
A Theoretical Optimized Mutant for the Conversion of Substrate Specificity and Activity of Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P7.
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Janus: an algorithm for ranking functional importance of residues from protein sequence alignments.
To be Published
8TC9
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BU of 8tc9 by Molmil
Human asparaginyl-tRNA synthetase bound to OSM-S-106
Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
3MTD
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BU of 3mtd by Molmil
Glycogen phosphorylase complexed with 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010

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