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4BV6
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BU of 4bv6 by Molmil
Refined crystal structure of the human Apoptosis inducing factor
分子名称: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
登録日2013-06-25
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
4ZNQ
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BU of 4znq by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-2)Man
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNO
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BU of 4zno by Molmil
Crystal structure of Dln1 complexed with sucrose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNR
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BU of 4znr by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-3)Man
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-05-05
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
8FK4
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BU of 8fk4 by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in orthorhombic space group P21212
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, Glucosyltransferase-I, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-20
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FJ9
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BU of 8fj9 by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB in tetragonal space group P4322
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-19
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FJC
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BU of 8fjc by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in tetragonal space group P4322
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-19
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FKL
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BU of 8fkl by Molmil
Truncated form of the catalytic domain of Streptococcus mutans GtfB
分子名称: 1,2-ETHANEDIOL, Glucosyltransferase-I, MAGNESIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2022-12-21
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FN5
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BU of 8fn5 by Molmil
Structure of the truncated catalytic domain of Streptococcus mutans GtfD
分子名称: Glucosyltransferase-S
著者Schormann, N, Deivanayagam, C.
登録日2022-12-27
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8DDD
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BU of 8ddd by Molmil
Intramembrane recognition between transmembrane domains of IL-9R and common gamma chain
分子名称: Cytokine receptor common subunit gamma, Interleukin-9 receptor
著者Lenoir Capello, R, Cai, T, Chou, J.J.
登録日2022-06-17
公開日2023-07-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of gamma chain family receptor sharing at the membrane level.
Science, 381, 2023
8DDC
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BU of 8ddc by Molmil
Intramembrane recognition between transmembrane domains of IL-7R and common gamma chain
分子名称: Cytokine receptor common subunit gamma, Interleukin-7 receptor subunit alpha
著者Cai, T, Lenoir Capello, R, Chou, J.J.
登録日2022-06-17
公開日2023-07-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of gamma chain family receptor sharing at the membrane level.
Science, 381, 2023
4JHC
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BU of 4jhc by Molmil
Crystal structure of the uncharacterized Maf protein YceF from E. coli
分子名称: GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION
著者Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A.
登録日2013-03-04
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
8DPX
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BU of 8dpx by Molmil
Preligand association structure of DR5
分子名称: Tumor necrosis factor receptor superfamily member 10B
著者Du, G, Zhao, L, Chou, J.J.
登録日2022-07-17
公開日2023-02-15
実験手法SOLUTION NMR
主引用文献Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation.
Cell Res., 33, 2023
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
6D74
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BU of 6d74 by Molmil
Direct Activation of the Executioner Domain of MLKL by a Select Repertoire of Inositol Phosphates
分子名称: Mixed lineage kinase domain-like protein
著者Royappa, G.C, McNamara, D.E, Moldoveanu, T.
登録日2018-04-24
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Direct Activation of Human MLKL by a Select Repertoire of Inositol Phosphate Metabolites.
Cell Chem Biol, 26, 2019
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
著者Hong, Y, Feng, Y.C, Liu, Y.
登録日2020-07-02
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
2MEZ
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BU of 2mez by Molmil
Flexible anchoring of archaeal MBF1 on ribosomes suggests role as recruitment factor
分子名称: Multiprotein Bridging Factor (MBP-like)
著者Launay, H, Blombarch, F, Camilloni, C, Vendruscolo, M, van des Oost, J, Christodoulou, J.
登録日2013-10-03
公開日2014-06-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Archaeal MBF1 binds to 30S and 70S ribosomes via its helix-turn-helix domain.
Biochem.J., 462, 2014
5TSR
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BU of 5tsr by Molmil
Crystal structure of PRL-3 phosphatase in complex with the Bateman domain of CNNM3 magnesium transporter
分子名称: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 3
著者Kozlov, G, Zhang, H, Gehring, K.
登録日2016-10-31
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.188 Å)
主引用文献PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
7L0O
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BU of 7l0o by Molmil
Streptococcus gordonii C123 Domain(s)-Structural and Functional Analysis
分子名称: Agglutinin receptor, CALCIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2020-12-11
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB.
Acta Crystallogr D Struct Biol, 77, 2021
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
著者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)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
5KCV
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BU of 5kcv by Molmil
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
分子名称: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
著者Eathiraj, S.
登録日2016-06-07
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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
分子名称: 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
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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
4QXG
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BU of 4qxg by Molmil
Antigen binding fragment of an anti IFNAR1 antibody
分子名称: Fab, heavy chain, IgG1, ...
著者Oganesyan, V.Y, Dall'Acqua, W.F.
登録日2014-07-20
公開日2015-02-25
最終更新日2015-04-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for antagonistic activity of anifrolumab, an anti-interferon-alpha receptor 1 antibody.
MAbs, 7, 2015

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