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4U3J
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BU of 4u3j by Molmil
TOG2:alpha/beta-tubulin complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein STU2, ...
著者Ayaz, P, Rice, L.M.
登録日2014-07-22
公開日2014-08-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献A tethered delivery mechanism explains the catalytic action of a microtubule polymerase.
Elife, 3, 2014
4FFB
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BU of 4ffb by Molmil
A TOG:alpha/beta-tubulin Complex Structure Reveals Conformation-Based Mechanisms For a Microtubule Polymerase
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein STU2, ...
著者Ayaz, P, Ye, X, Huddleston, P, Brautigam, C.A, Rice, L.M.
登録日2012-05-31
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献A TOG: alpha beta-tubulin complex structure reveals conformation-based mechanisms for a microtubule polymerase.
Science, 337, 2012
5IEX
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BU of 5iex by Molmil
Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2
分子名称: (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IF1
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BU of 5if1 by Molmil
Crystal structure apo CDK2/cyclin A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEV
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BU of 5iev by Molmil
Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2
分子名称: Cyclin-dependent kinase 2, Roniciclib
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEY
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BU of 5iey by Molmil
Crystal structure of a CDK inhibitor bound to CDK2
分子名称: 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
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, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JWL
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BU of 6jwl by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with AZD9291
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Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-21
公開日2020-04-22
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX4
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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2020-11-04
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2020-11-04
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
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
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
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
分子名称: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
著者Valverde, R, Foster, L.
登録日2023-05-18
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2023-10-25
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
8U1F
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BU of 8u1f by Molmil
FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10
分子名称: Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ...
著者Valverde, R, Foster, L.
登録日2023-08-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024

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