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8FFM
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Wildtype rat TRPV2 in nanodiscs bound to RR and 2-APB
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, ...
著者Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y.
登録日2022-12-09
公開日2024-02-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024
6ZHW
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Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Branden, G, Neutze, R.
登録日2020-06-23
公開日2020-12-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
7OU1
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BU of 7ou1 by Molmil
Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP2)
分子名称: 1,2-ETHANEDIOL, L-asparaginase, ZINC ION
著者Imiolczyk, B, Loch, J.I, Gilski, M, Jaskolski, M.
登録日2021-06-10
公開日2021-11-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
7OS5
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Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (orthorhombic form OP)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, L-asparaginase, ...
著者Loch, J.I, Imiolczyk, B, Gilski, M, Jaskolski, M.
登録日2021-06-07
公開日2021-11-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.293 Å)
主引用文献Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
6Z36
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BU of 6z36 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ...
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-05-19
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
8FPK
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BU of 8fpk by Molmil
LBD conformation 1 of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100uM CNQX (Closed-CaNaMg)
分子名称: 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione, CYCLOTHIAZIDE, Glutamate receptor 2
著者Nakagawa, T.
登録日2023-01-04
公開日2024-02-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
7NE7
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BU of 7ne7 by Molmil
oligopeptidase B from S. proteomaculans with modified hinge region in complex with N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
分子名称: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-02-03
公開日2021-02-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of N alpha-p-tosyl-lysyl Chloromethylketone-Bound Oligopeptidase B from Serratia Proteamaculans Revealed a New Type of Inhibitor Binding
Crystals, 11, 2021
4WHH
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BU of 4whh by Molmil
A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1
分子名称: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, SULFATE ION, Serine/threonine-protein kinase PLK1
著者Bang, J.K.
登録日2014-09-22
公開日2014-12-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
著者Centorrino, F, Ottmann, C.
登録日2022-07-08
公開日2023-04-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
4WHU
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BU of 4whu by Molmil
BROMO domain of CREB binding protein
分子名称: 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, CREB-binding protein
著者Liu, S.
登録日2014-09-23
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
6WEQ
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BU of 6weq by Molmil
DENV1 NS1 in complex with neutralizing 2B7 Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ...
著者Akey, D.L, Smith, J.L.
登録日2020-04-02
公開日2020-12-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
8TK5
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BU of 8tk5 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment Screening Identifies Novel Allosteric Binders and Binding Sites in the VHR ( DUSP3 ) Phosphatase.
Acs Omega, 10, 2025
6YWX
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BU of 6ywx by Molmil
The structure of the mitoribosome from Neurospora crassa with tRNA bound to the E-site
分子名称: 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ...
著者Amunts, A, Itoh, Y, Naschberger, A.
登録日2020-04-30
公開日2020-11-11
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
6WIZ
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BU of 6wiz by Molmil
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2020-04-11
公開日2020-07-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WGP
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BU of 6wgp by Molmil
The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
To Be Published
8U06
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BU of 8u06 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site)
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-08-28
公開日2024-09-04
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine.
J.Biol.Chem., 300, 2024
7NDY
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BU of 7ndy by Molmil
Di-phosphorylated Barrier-to-Autointegration Factor (BAF) in complex with LEM domain of Emerin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Barrier-to-autointegration factor, N-terminally processed, ...
著者Marcelot, A, Le Du, M.H, Hoffmann, G, Zinn-Justin, S.
登録日2021-02-02
公開日2021-04-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners.
Nucleic Acids Res., 49, 2021
8AZR
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BU of 8azr by Molmil
KRAS in complex with precursor 1
分子名称: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ...
著者Boettcher, J, Herdeis, L.
登録日2022-09-06
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
8GPB
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BU of 8gpb by Molmil
STRUCTURAL MECHANISM FOR GLYCOGEN PHOSPHORYLASE CONTROL BY PHOSPHORYLATION AND AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
著者Barford, D, Hu, S.-H, Johnson, L.N.
登録日1990-11-13
公開日1992-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP.
J.Mol.Biol., 218, 1991
7NNS
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BU of 7nns by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
分子名称: 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ...
著者Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2021-02-25
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
To Be Published
6O0O
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BU of 6o0o by Molmil
crystal structure of BCL-2 G101V mutation with S55746
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
登録日2019-02-17
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
8U07
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BU of 8u07 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (secondary site)
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-08-28
公開日2024-09-04
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine.
J.Biol.Chem., 300, 2024
6O29
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Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
4WVA
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Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with Tris
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Miyazaki, T, Ichikawa, M, Nishikawa, A, Tonozuka, T.
登録日2014-11-05
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure and substrate-binding mode of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8.
J.Struct.Biol., 190, 2015
6ZF9
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
分子名称: 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4
著者Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-06-16
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
To Be Published

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