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7JVO
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BU of 7jvo by Molmil
Importin alpha bound to the C-terminus of ACE2
分子名称: ARG-LYS-LYS-LYS-ASN-LYS-ALA, Importin subunit alpha-1
著者Forwood, J.K, Cross, E.M, Tsimbalyuk, S.
登録日2020-08-22
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting novel LSD1-dependent ACE2 demethylation domains inhibits SARS-CoV-2 replication.
Cell Discov, 7, 2021
4XKK
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BU of 4xkk by Molmil
Crystal structure of N-terminal domain of Hsp90 from Dictyostelium discoideum
分子名称: Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2015-01-12
公開日2015-01-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heat shock protein 90 regulates development in Dictyostelium discoideum
J. Mol. Biol., 383, 2008
6UBT
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BU of 6ubt by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly-bound desensitized conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2019-09-12
公開日2020-07-29
最終更新日2020-08-12
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6UD3
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BU of 6ud3 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/PTX-bound open/blocked conformation
分子名称: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2019-09-18
公開日2020-07-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6VM0
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BU of 6vm0 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-1)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6VM2
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BU of 6vm2 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-2)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6VM3
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BU of 6vm3 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-3)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6UBS
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BU of 6ubs by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Apo/Resting conformation
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2019-09-12
公開日2020-07-29
最終更新日2020-08-12
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
5JH6
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BU of 5jh6 by Molmil
Crystal structure of TL10-92 bound to TAK1-TAB1
分子名称: 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
著者Gurbani, D, Westover, K.D.
登録日2016-04-20
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.365 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5JK3
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BU of 5jk3 by Molmil
Crystal structure of TL11-128 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-25
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.371 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5J8I
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BU of 5j8i by Molmil
Crystal structure of TL11-113 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-07
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-10
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7515 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
分子名称: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Bera, A, Westover, K.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
5J7S
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BU of 5j7s by Molmil
Crystal structure of SM1-71 bound to TAK1-TAB1
分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
著者Gurbani, D, Westover, K.D.
登録日2016-04-06
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5CIZ
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BU of 5ciz by Molmil
E. coli RNA polymerase alpha subunit CTD in complex with CAP and DNA: A(5)-tract binding site for alpha CTD
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*AP*GP*GP*CP*AP*AP*AP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*TP*TP*TP*GP*CP*CP*TP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3'), ...
著者Napoli, A.A, Lawson, C.L.
登録日2015-07-13
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.0098 Å)
主引用文献The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element
Biochemistry, 2020
5E7R
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BU of 5e7r by Molmil
Crystal structure of TL10-81 bound to TAK1-TAB1
分子名称: 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein
著者Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D.
登録日2015-10-13
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
6VAM
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BU of 6vam by Molmil
Cryo-EM structure of octameric chicken CALHM1
分子名称: Green fluorescent protein,CALHM1 chimera
著者Syrjanen, J.L, Chou, T.H, Furukawa, H.
登録日2019-12-17
公開日2020-01-29
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structure and assembly of calcium homeostasis modulator proteins.
Nat.Struct.Mol.Biol., 27, 2020
6VAK
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BU of 6vak by Molmil
Cryo-EM structure of human CALHM2
分子名称: Calcium homeostasis modulator protein 2
著者Syrjanen, J.L, Chou, T.H, Furukawa, H.
登録日2019-12-17
公開日2020-01-29
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Structure and assembly of calcium homeostasis modulator proteins.
Nat.Struct.Mol.Biol., 27, 2020
3N4M
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BU of 3n4m by Molmil
E. coli RNA polymerase alpha subunit C-terminal domain in complex with CAP and DNA
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DI(HYDROXYETHYL)ETHER, ...
著者Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L.
登録日2010-05-21
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.987 Å)
主引用文献The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element.
Biochemistry, 59, 2020
6VAL
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BU of 6val by Molmil
Cryo-EM structure of an undecameric chicken CALHM1 and human CALHM2 chimera
分子名称: Green fluorescent protein, CALHM1,CALMH2 chimera
著者Syrjanen, J.L, Chou, T.H, Furukawa, H.
登録日2019-12-17
公開日2020-01-29
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structure and assembly of calcium homeostasis modulator proteins.
Nat.Struct.Mol.Biol., 27, 2020
6VAI
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BU of 6vai by Molmil
Cryo-EM structure of a dimer of undecameric human CALHM2
分子名称: Calcium homeostasis modulator protein 2
著者Syrjanen, J.L, Chou, T.H, Furukawa, H.
登録日2019-12-17
公開日2020-01-29
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structure and assembly of calcium homeostasis modulator proteins.
Nat.Struct.Mol.Biol., 27, 2020
3N97
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BU of 3n97 by Molmil
RNA polymerase alpha C-terminal domain (E. coli) and sigma region 4 (T. aq. mutant) bound to (UP,-35 element) DNA
分子名称: ACETATE ION, DNA (5'-D(*CP*CP*AP*TP*GP*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*AP*AP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*CP*AP*TP*GP*G)-3'), ...
著者Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L.
登録日2010-05-28
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.252 Å)
主引用文献The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element.
Biochemistry, 59, 2020
8U5M
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BU of 8u5m by Molmil
Structure of Sts-1 HP domain with rebamipide
分子名称: Rebamipide, Ubiquitin-associated and SH3 domain-containing protein B
著者Azia, F, Dey, R, French, J.B.
登録日2023-09-12
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
8U7E
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BU of 8u7e by Molmil
Structure of Sts-1 HP domain with rebamipide derivative
分子名称: N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B
著者Aziz, F, Dey, R, French, J.B.
登録日2023-09-15
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
1RCF
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BU of 1rcf by Molmil
STRUCTURE OF THE TRIGONAL FORM OF RECOMBINANT OXIDIZED FLAVODOXIN FROM ANABAENA 7120 AT 1.40 ANGSTROMS RESOLUTION
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
著者Burkhart, B, Ramakrishnan, B, Yan, H, Reedstrom, R, Markley, J, Straus, N, Sundaralingam, M.
登録日1994-10-31
公開日1995-01-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the trigonal form of recombinant oxidized flavodoxin from Anabaena 7120 at 1.40 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995

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