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5LI7
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BU of 5li7 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea
分子名称: 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
6OMV
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BU of 6omv by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4-DNA complex
分子名称: AcrVA4, Cpf1, DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*AP*GP*GP*A)-3'), ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-04-19
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
2C45
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BU of 2c45 by Molmil
NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
分子名称: Aspartate 1-decarboxylase
著者Gopalan, G, Chopra, S, Ranganathan, A, Swaminathan, K.
登録日2005-10-15
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of uncleaved L-aspartate-alpha-decarboxylase from Mycobacterium tuberculosis.
Proteins, 65, 2006
6G6V
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BU of 6g6v by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 4-(2-carboxybenzoyl)-2-nitrobenzoic acid at 1.9A resolution.
分子名称: 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2018-04-03
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
7QJL
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BU of 7qjl by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Levy, C, Katariya, M.
登録日2021-12-16
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QKE
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BU of 7qke by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QNN
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BU of 7qnn by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-21
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7QWN
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BU of 7qwn by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-01-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7X5F
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BU of 7x5f by Molmil
Nrf2-MafG heterodimer bound with CsMBE2
分子名称: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5G
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BU of 7x5g by Molmil
Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2
分子名称: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ...
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5E
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BU of 7x5e by Molmil
Nrf2-MafG heterodimer bound with CsMBE1
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ...
著者Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
登録日2022-03-04
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7R1I
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BU of 7r1i by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-02-03
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Leys, D, Levy, C.
登録日2022-02-07
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
3DDI
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BU of 3ddi by Molmil
Crystal structure of the mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with TDP
分子名称: MAGNESIUM ION, Nucleoside diphosphate kinase, THYMIDINE-5'-DIPHOSPHATE
著者Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, A.
登録日2008-06-05
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
8FD2
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BU of 8fd2 by Molmil
Cryo-EM structure of Cascade complex in type I-B CAST system
分子名称: A Type I-B CRISPR-associated protein Cas5, RNA, Type I-B CRISPR-associated protein Cas11, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
7W3L
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BU of 7w3l by Molmil
Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
分子名称: 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2021-11-25
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
分子名称: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE2
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BU of 7xe2 by Molmil
Crystal structure of LSD2 in complex with trans-4-Br-PCPA
分子名称: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE3
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BU of 7xe3 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
分子名称: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2022-03-29
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
8FCJ
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BU of 8fcj by Molmil
Cryo-EM structure of Cascade-DNA (P23) complex in type I-B CAST system
分子名称: Non-target DNA strand, RNA, Target DNA strand, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCX
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BU of 8fcx by Molmil
Cryo-EM structure of TnsC oligomer in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TnsC
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCU
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BU of 8fcu by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FD3
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BU of 8fd3 by Molmil
Cryo-EM structure of Cascade-PAM complex in type I-B CAST system
分子名称: Non-target DNA strand, RNA, Target DNA strand, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCV
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BU of 8fcv by Molmil
Cryo-EM structure of TnsC-TniQ-DNA complex in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCW
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BU of 8fcw by Molmil
Cryo-EM structure of TnsC-DNA complex in type I-B CAST system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023

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