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PDB: 334 件
8STN
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BU of 8stn by Molmil
Crystal structure of KRAS-G12D/G75A mutant, GDP-bound
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2023-05-10
公開日2023-08-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
5WHA
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KRas G12V, bound to GDP and miniprotein 225-11
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
登録日2017-07-16
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
6GOG
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KRAS-169 Q61H GPPNHP
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6YXW
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BU of 6yxw by Molmil
Affimer K3 - KRAS protein complex
分子名称: Affimer K3, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2020-05-04
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
5OCT
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BU of 5oct by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ...
著者Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
登録日2017-07-03
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
8UN3
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BU of 8un3 by Molmil
KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
4M22
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BU of 4m22 by Molmil
Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C
分子名称: 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-05
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
6P8W
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Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6OB3
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Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GTPase KRas, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2019-03-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
1KZP
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BU of 1kzp by Molmil
PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A FARNESYLATED K-RAS4B PEPTIDE PRODUCT
分子名称: ACETIC ACID, FARNESYL, Farnesylated K-Ras4B peptide product, ...
著者Long, S.B, Casey, P.J, Beese, L.S.
登録日2002-02-07
公開日2002-10-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reaction path of protein farnesyltransferase at atomic resolution
Nature, 419, 2002
7RT4
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KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine)
分子名称: 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
登録日2021-08-12
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
8JHL
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BU of 8jhl by Molmil
GDP-bound KRAS G12D in complex with YK-8S
分子名称: 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ...
著者Zhang, Z.M, Wang, R.L.
登録日2023-05-23
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.10004044 Å)
主引用文献Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
6P8X
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BU of 6p8x by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称: 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6XGV
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BU of 6xgv by Molmil
Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
分子名称: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
7EW9
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BU of 7ew9 by Molmil
GDP-bound KRAS G12D in complex with TH-Z816
分子名称: 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
6MTA
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BU of 6mta by Molmil
KRAS P34R mutant structure in complex with GTP analogue
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Bera, A.K, Westover, K.D.
登録日2018-10-19
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
4LRW
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BU of 4lrw by Molmil
Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-21
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
7A47
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KRASG12C GDP form in complex with Cpd4
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
著者Bertrand, T, Steier, V.
登録日2020-08-19
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
5WHB
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KRas G12V, bound to GDP and miniprotein 225-11(A30R)
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
登録日2017-07-16
公開日2018-01-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
5O2T
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BU of 5o2t by Molmil
Human KRAS in complex with darpin K27
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
著者Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
登録日2017-05-22
公開日2017-07-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
5MLA
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BU of 5mla by Molmil
Crystal structure of human RAS in complex with darpin K55
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
著者Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
登録日2016-12-06
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
5UFQ
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K-RasG12D(GNP)/R11.1.6 complex
分子名称: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
著者Parker, J.A, Mattos, C.
登録日2017-01-05
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献An engineered protein antagonist of K-Ras/B-Raf interaction.
Sci Rep, 7, 2017
7T1F
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Crystal structure of GDP-bound T50I mutant of human KRAS4B
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
著者Zhang, Y, Zhang, C.
登録日2021-12-01
公開日2022-12-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
1KZO
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PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH FARNESYLATED K-RAS4B PEPTIDE PRODUCT AND FARNESYL DIPHOSPHATE SUBSTRATE BOUND SIMULTANEOUSLY
分子名称: ACETIC ACID, FARNESYL, FARNESYL DIPHOSPHATE, ...
著者Long, S.B, Casey, P.J, Beese, L.S.
登録日2002-02-07
公開日2002-10-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Reaction Path of Protein Farnesyltransferase at Atomic Resolution
Nature, 419, 2002

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