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8E6U
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BU of 8e6u by Molmil
Human TRPM2 ion channel in 1 mM F-dADPR
Descriptor: Transient receptor potential cation channel subfamily M member 2, [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2022-08-23
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
8E6Q
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BU of 8e6q by Molmil
Human TRPM2 ion channel in 1 mM ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2022-08-23
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
8E6R
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BU of 8e6r by Molmil
Human TRPM2 ion channel in 1 mM dADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2022-08-23
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
8E6T
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BU of 8e6t by Molmil
Human TRPM2 ion channel in 1 mM BR-ADPR
Descriptor: (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), Transient receptor potential cation channel subfamily M member 2
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2022-08-23
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
8E6S
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BU of 8e6s by Molmil
Human TRPM2 ion channel in 1 mM dADPR and Ca2+
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, ...
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2022-08-23
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
6IRF
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BU of 6irf by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
Descriptor: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5VSC
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BU of 5vsc by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
Descriptor: 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
4BV6
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BU of 4bv6 by Molmil
Refined crystal structure of the human Apoptosis inducing factor
Descriptor: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
Deposit date:2013-06-25
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
4JHC
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BU of 4jhc by Molmil
Crystal structure of the uncharacterized Maf protein YceF from E. coli
Descriptor: GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION
Authors:Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A.
Deposit date:2013-03-04
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
Authors:Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
2MEZ
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BU of 2mez by Molmil
Flexible anchoring of archaeal MBF1 on ribosomes suggests role as recruitment factor
Descriptor: Multiprotein Bridging Factor (MBP-like)
Authors:Launay, H, Blombarch, F, Camilloni, C, Vendruscolo, M, van des Oost, J, Christodoulou, J.
Deposit date:2013-10-03
Release date:2014-06-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Archaeal MBF1 binds to 30S and 70S ribosomes via its helix-turn-helix domain.
Biochem.J., 462, 2014
9FEB
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BU of 9feb by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae in complex with NADP
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
5IN1
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BU of 5in1 by Molmil
Crystal Structure of the MRG701 chromodomain
Descriptor: 1,2-ETHANEDIOL, MRG701, SULFATE ION
Authors:Huang, Y, Liu, Y.
Deposit date:2016-03-07
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
9FE6
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BU of 9fe6 by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae
Descriptor: MAGNESIUM ION, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
7F9O
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BU of 7f9o by Molmil
PSI-NDH supercomplex of Barley
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X.
Deposit date:2021-07-04
Release date:2021-12-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7L0O
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BU of 7l0o by Molmil
Streptococcus gordonii C123 Domain(s)-Structural and Functional Analysis
Descriptor: Agglutinin receptor, CALCIUM ION
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2020-12-11
Release date:2021-09-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB.
Acta Crystallogr D Struct Biol, 77, 2021
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Descriptor: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
5KCV
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BU of 5kcv by Molmil
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
Descriptor: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
Authors:Eathiraj, S.
Deposit date:2016-06-07
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
9CJL
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BU of 9cjl by Molmil
Molecular basis of TMED9 dodecamer
Descriptor: Transmembrane emp24 domain-containing protein 9, [(2R)-2-[(E)-octadec-9-enoyl]oxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (E)-octadec-9-enoate
Authors:Le, X, Xiong, P.
Deposit date:2024-07-06
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Molecular basis of TMED9 oligomerization and entrapment of misfolded protein cargo in the early secretory pathway.
Sci Adv, 10, 2024
9CJK
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BU of 9cjk by Molmil
Human TMED9 octamer structure
Descriptor: Transmembrane emp24 domain-containing protein 9, [(2R)-2-[(E)-octadec-9-enoyl]oxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (E)-octadec-9-enoate
Authors:Le, X, Xiong, P.
Deposit date:2024-07-06
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of TMED9 oligomerization and entrapment of misfolded protein cargo in the early secretory pathway.
Sci Adv, 10, 2024
3KXL
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BU of 3kxl by Molmil
crystal structure of SsGBP mutation variant G235S
Descriptor: GTP-binding protein (HflX), THIOCYANATE ION
Authors:Huang, B, Li, X, Zhang, X.C, Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
3KXI
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BU of 3kxi by Molmil
crystal structure of SsGBP and GDP complex
Descriptor: GTP-binding protein (HflX), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, B, Li, X, Zhang, X.C, Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Liu, J.
Deposit date:2009-07-07
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010

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數據於2024-10-16公開中

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