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6JX4
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BU of 6jx4 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Zhu, S.J, Yan, X.E, Yun, C.H.
登録日2019-04-22
公開日2020-04-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.531 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Yan, X.E, Zhu, S.J.
登録日2019-04-21
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6OP9
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BU of 6op9 by Molmil
HER3 pseudokinase domain bound to bosutinib
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3
著者Littlefield, P, Agnew, C, Jura, N.
登録日2019-04-24
公開日2019-08-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers.
Cell Rep, 38, 2022
4YGA
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BU of 4yga by Molmil
CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7
分子名称: CALCIUM ION, Calmodulin-domain protein kinase 1, VHH-1B7
著者Knockenhauer, K.E, Schwartz, T.U.
登録日2015-02-26
公開日2015-08-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Allosteric activation of apicomplexan calcium-dependent protein kinases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5UN1
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BU of 5un1 by Molmil
Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor
分子名称: (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Song, X, Gouaux, E.
登録日2017-01-30
公開日2018-02-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanism of NMDA receptor channel block by MK-801 and memantine.
Nature, 556, 2018
5DLI
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BU of 5dli by Molmil
Corkscrew assembly of SOD1 residues 28-38
分子名称: GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn]
著者Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D.
登録日2015-09-05
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3BT1
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BU of 3bt1 by Molmil
Structure of urokinase receptor, urokinase and vitronectin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ...
著者Huang, M.
登録日2007-12-27
公開日2008-03-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
3BT2
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BU of 3bt2 by Molmil
Structure of urokinase receptor, urokinase and vitronectin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ...
著者Huang, M.
登録日2007-12-27
公開日2008-03-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
2FAT
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BU of 2fat by Molmil
An anti-urokinase plasminogen activator receptor (UPAR) antibody: Crystal structure and binding epitope
分子名称: FAB ATN-615, heavy chain, light chain
著者Li, Y, Parry, G, Shi, X, Chen, L, Callahan, J.A, Mazar, A.P, Huang, M.
登録日2005-12-07
公開日2006-11-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An anti-urokinase plasminogen activator receptor (uPAR) antibody: crystal structure and binding epitope
J.Mol.Biol., 365, 2007
2FD6
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BU of 2fd6 by Molmil
Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and an anti-upar antibody at 1.9 A
分子名称: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
著者Huang, M, Huai, Q, Li, Y.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human urokinase plasminogen activator in complex with its receptor
Science, 311, 2006
2I9A
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BU of 2i9a by Molmil
Crystal structure of the free aminoterminal fragment of urokinase type plasminogen activator (ATF)
分子名称: PHOSPHATE ION, Urokinase-type plasminogen activator
著者Lubkowski, J, Barinka, C.
登録日2006-09-05
公開日2006-11-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of interaction between urokinase-type plasminogen activator and its receptor.
J.Mol.Biol., 363, 2006
2I9B
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BU of 2i9b by Molmil
Crystal structure of ATF-urokinase receptor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Urokinase plasminogen activator surface receptor, ...
著者Lubkowski, J, Barinka, C.
登録日2006-09-05
公開日2007-01-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of interaction between urokinase-type plasminogen activator and its receptor.
J.Mol.Biol., 363, 2006
4FVQ
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BU of 4fvq by Molmil
Crystal structure of the Jak2 pseudokinase domain (Mg-ATP-bound form)
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Bandaranayake, R.M, Hubbard, S.R.
登録日2012-06-29
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
4FVP
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BU of 4fvp by Molmil
Crystal structure of the Jak2 pseudokinase domain (apo form)
分子名称: GLYCEROL, Tyrosine-protein kinase JAK2
著者Bandaranayake, R.M, Hubbard, S.R.
登録日2012-06-29
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
4FVR
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BU of 4fvr by Molmil
Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase JAK2
著者Bandaranayake, R.M, Hubbard, S.R.
登録日2012-06-29
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
6UNQ
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BU of 6unq by Molmil
Kinase domain of ALK2-K493A with AMPPNP
分子名称: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNR
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BU of 6unr by Molmil
Kinase domain of ALK2-K492A/K493A with AMPPNP
分子名称: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNS
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BU of 6uns by Molmil
Kinase domain of ALK2-K492A/K493A with LDN-193189
分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1
著者Agnew, C, Jura, N.
登録日2019-10-13
公開日2021-07-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
8STG
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BU of 8stg by Molmil
Discovery and clinical validation of RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
分子名称: Fibroblast growth factor receptor 2, N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
著者Valverde, R, Foster, L.
登録日2023-05-10
公開日2023-06-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations.
Cancer Discov, 13, 2023
8T8Q
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BU of 8t8q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nguyen, V, Wilbur, J.D.
登録日2023-06-23
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T7Q
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BU of 8t7q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nguyen, V, Wilbur, J.D.
登録日2023-06-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6G
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BU of 8t6g by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nugyen, V, Wilbur, J.D.
登録日2023-06-15
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8T6D
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BU of 8t6d by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nguyen, V, Wilbur, J.D.
登録日2023-06-15
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
8TU6
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BU of 8tu6 by Molmil
CryoEM structure of PI3Kalpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Valverde, R, Shi, H, Holliday, M.
登録日2023-08-15
公開日2023-11-15
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024

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件を2025-07-09に公開中

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