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8T4V
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BU of 8t4v by Molmil
Crystal structure of compound 1 bound to K-Ras(G12D)
Descriptor: 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M.
Deposit date:2023-06-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 2024
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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BU of 8t75 by Molmil
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T74
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BU of 8t74 by Molmil
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8TBK
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BU of 8tbk by Molmil
Tricomplex of RMC-7977, KRAS G12C, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBN
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BU of 8tbn by Molmil
Tricomplex of RMC-7977, KRAS G12S, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBI
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BU of 8tbi by Molmil
Tricomplex of RMC-7977, NRAS WT, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase NRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBF
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BU of 8tbf by Molmil
Tricomplex of RMC-7977, KRAS WT, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBG
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BU of 8tbg by Molmil
Tricomplex of RMC-7977, HRAS WT, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ...
Authors:Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBM
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BU of 8tbm by Molmil
Tricomplex of RMC-7977, KRAS G12V, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBJ
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BU of 8tbj by Molmil
Tricomplex of RMC-7977, KRAS G12A, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBL
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BU of 8tbl by Molmil
Tricomplex of RMC-7977, KRAS G12D, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8TBH
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BU of 8tbh by Molmil
Tricomplex of RMC-7977, KRAS G12R, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
8JHL
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BU of 8jhl by Molmil
GDP-bound KRAS G12D in complex with YK-8S
Descriptor: 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, ...
Authors:Zhang, Z.M, Wang, R.L.
Deposit date:2023-05-23
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.10004044 Å)
Cite:Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
8JGD
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BU of 8jgd by Molmil
GDP-bound KRAS G12C in complex with YK-8S
Descriptor: (2~{S})-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]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z.M, Wang, R.L.
Deposit date:2023-05-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.60037053 Å)
Cite:Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
8WEJ
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BU of 8wej by Molmil
Structure of human phagocyte NADPH oxidase in the activated state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7D5 Fab heavy chain, 7D5 Fab light chain, ...
Authors:Chen, L, Liu, X.
Deposit date:2023-09-18
Release date:2024-01-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structure of human phagocyte NADPH oxidase in the activated state.
Nature, 627, 2024
8Q0N
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BU of 8q0n by Molmil
HACE1 in complex with RAC1 Q61L
Descriptor: E3 ubiquitin-protein ligase HACE1, GUANOSINE-5'-TRIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ...
Authors:Wolter, M, Duering, J, Dienemann, C, Lorenz, S.
Deposit date:2023-07-28
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
8FO2
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BU of 8fo2 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 monomer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-29
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8FO8
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BU of 8fo8 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 dimer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-29
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8FO9
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BU of 8fo9 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 tetramer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-30
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8HUF
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BU of 8huf by Molmil
B28 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:B28 in complex with CRM1-Ran-RanBP1
To Be Published
8HUG
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BU of 8hug by Molmil
F1 in complex with CRM1-Ran-RanBP1
Descriptor: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:F1 in complex with CRM1-Ran-RanBP1
To Be Published
8UN5
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BU of 8un5 by Molmil
KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024

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PDB entries from 2024-03-27

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