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3CLB
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BU of 3clb by Molmil
Structure of bifunctional TcDHFR-TS in complex with TMQ
分子名称: 1,2-ETHANEDIOL, DHFR-TS, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schormann, N, Senkovich, O, Chattopadhyay, D.
登録日2008-03-18
公開日2009-01-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
分子名称: Protein rof, Transcription termination factor Rho
著者Zhang, J, Wang, C.
登録日2023-09-01
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
7N1Z
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BU of 7n1z by Molmil
NMR structure of native PnIA
分子名称: Alpha-conotoxin PnIA
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N24
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BU of 7n24 by Molmil
NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N26
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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
5VSI
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BU of 5vsi by Molmil
CH1/Ckappa Fab mutant 15.1
分子名称: 1,2-ETHANEDIOL, CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain, ...
著者Hendle, J.
登録日2017-05-11
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
8TBG
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BU of 8tbg by Molmil
Tricomplex of RMC-7977, HRAS WT, and CypA
分子名称: (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, ...
著者Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBJ
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BU of 8tbj by Molmil
Tricomplex of RMC-7977, KRAS G12A, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBI
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BU of 8tbi by Molmil
Tricomplex of RMC-7977, NRAS WT, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBK
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BU of 8tbk by Molmil
Tricomplex of RMC-7977, KRAS G12C, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBL
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BU of 8tbl by Molmil
Tricomplex of RMC-7977, KRAS G12D, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBM
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BU of 8tbm by Molmil
Tricomplex of RMC-7977, KRAS G12V, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
8TBN
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BU of 8tbn by Molmil
Tricomplex of RMC-7977, KRAS G12S, and CypA
分子名称: (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, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
3DG6
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BU of 3dg6 by Molmil
Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2008-06-12
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
3DG7
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BU of 3dg7 by Molmil
Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2008-06-12
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
3DNB
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BU of 3dnb by Molmil
HELIX GEOMETRY, HYDRATION, AND G.A MISMATCH IN A B-DNA DECAMER
分子名称: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*TP*GP*G)-3'), MAGNESIUM ION
著者Prive, G.G, Dickerson, R.E.
登録日1988-03-18
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.
J.Mol.Biol., 217, 1991
5VR9
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BU of 5vr9 by Molmil
CH1/Ckappa Fab based on Matuzumab
分子名称: CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain
著者Hendle, J.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y, Hansson, S.K.
登録日2008-05-29
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
5VSH
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BU of 5vsh by Molmil
CH1/Clambda Fab based on Pertuzumab
分子名称: CH1/Clambda Fab heavy chain, CH1/Clambda Fab light chain, SULFATE ION
著者Hendle, J.
登録日2017-05-11
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
8EQG
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BU of 8eqg by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAA(DU)GGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*DU*AP*AP*AP*TP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-07
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKV
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BU of 8ekv by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGATGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*TP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*AP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-09-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EM9
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BU of 8em9 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAGGAGAAGTAGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*GP*GP*AP*GP*AP*AP*GP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*CP*TP*TP*CP*TP*CP*CP*TP*A)-3'), Transcription factor PU.1
著者Terrell, J.R, Poon, G.M.K.
登録日2022-09-27
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8ENG
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BU of 8eng by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (forward strand)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*G*(5CM)P*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-09-29
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EK3
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BU of 8ek3 by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAATGGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-09-19
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023

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