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4WDI
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BU of 4wdi by Molmil
Weak TCR binding to an unstable insulin epitope drives type 1 diabetes
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2014-09-08
公開日2015-06-24
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Distortion of the Major Histocompatibility Complex Class I Binding Groove to Accommodate an Insulin-derived 10-Mer Peptide.
J.Biol.Chem., 290, 2015
4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4PAO
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BU of 4pao by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4PJ9
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BU of 4pj9 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4P0X
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BU of 4p0x by Molmil
Human farnesyl diphosphate synthase in complex with Taxodione
分子名称: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4WAS
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BU of 4was by Molmil
STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX
分子名称: CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ...
著者Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J.
登録日2014-08-31
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
4PJG
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BU of 4pjg by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJX
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BU of 4pjx by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4UWB
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BU of 4uwb by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P5
分子名称: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ...
著者Beeston, H, Tucker, J, Kankanala, J.
登録日2014-08-11
公開日2015-09-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
4UWC
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BU of 4uwc by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P3
分子名称: 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
著者Beeston, H, Tucker, J, Kankanala, J.
登録日2014-08-11
公開日2015-09-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
4PAM
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BU of 4pam by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4US0
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BU of 4us0 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
著者Li, D, Pye, V.E, Aragao, D, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXX
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BU of 4uxx by Molmil
Structure of delta4-DgkA with AMPPCP in 9.9 MAG
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Li, D, Vogeley, L, Caffrey, M.
登録日2014-08-27
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UYO
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BU of 4uyo by Molmil
Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution
分子名称: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CITRATE ANION, ...
著者Li, D, Howe, N, Other, O, Caffrey, M.
登録日2014-09-02
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4PH8
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BU of 4ph8 by Molmil
Crystal structure of AggA, the major subunit of aggregative adherence fimbriae type I (AAF/I) from the Escherichia coli O4H104
分子名称: Aggregative adherence fimbrial subunit AggA, GLYCEROL
著者Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
登録日2014-05-05
公開日2014-10-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4PIV
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BU of 4piv by Molmil
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069
分子名称: 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CACODYLATE ION, Fatty acid synthase, ...
著者Williams, S.P, Wang, L, Brown, K.K, Parrish, C.A, Hardwicke, M.A.
登録日2014-05-09
公開日2014-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site.
Nat.Chem.Biol., 10, 2014
4URZ
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BU of 4urz by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4PJB
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BU of 4pjb by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4URX
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BU of 4urx by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ...
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4PH4
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BU of 4ph4 by Molmil
The crystal structure of Human VPS34 in complex with PIK-III
分子名称: 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Knapp, M.S, Elling, R.A.
登録日2014-05-04
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
4PJ5
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BU of 4pj5 by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT TRBV6-1 TCR
分子名称: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4V04
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BU of 4v04 by Molmil
FGFR1 in complex with ponatinib.
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4PJI
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BU of 4pji by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2014-05-12
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4V29
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BU of 4v29 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions
分子名称: AT3G17980, CALCIUM ION
著者Diaz, M, Albert, A.
登録日2014-10-07
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献C2-Domain Abscisic Acid-Related Proteins Mediate the Interaction of Pyr/Pyl/Rcar Abscisic Acid Receptors with the Plasma Membrane and Regulate Abscisic Acid Sensitivity in Arabidopsis.
Plant Cell, 26, 2014

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