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8C34
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Aerobic light exposed 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
分子名称: COBALAMIN, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator, ...
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C35
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BU of 8c35 by Molmil
Dark state 2.1 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C32
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BU of 8c32 by Molmil
Dark state 2.2 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic condition
分子名称: 5'-DEOXYADENOSINE, BROMIDE ION, COBALAMIN, ...
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C33
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BU of 8c33 by Molmil
Anaerobic light exposed 2.25 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
分子名称: BROMIDE ION, COBALAMIN, Probable transcriptional regulator
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C37
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BU of 8c37 by Molmil
An intermediate light exposed 2.15 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic conditions
分子名称: COBALAMIN, Probable transcriptional regulator
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C31
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BU of 8c31 by Molmil
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition
分子名称: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, BROMIDE ION, ...
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
分子名称: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
著者Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6WLF
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BU of 6wlf by Molmil
Phosphoethanolamine Methyltransferase from the Pine Wilt Nematode Bursaphelenchus xylophilus
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphoethanolamine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Lee, S.G, Jez, J.M.
登録日2020-04-20
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical analysis of phosphoethanolamine methyltransferase from the pine wilt nematode Bursaphelenchus xylophilus.
Mol.Biochem.Parasitol., 238, 2020
4UBD
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BU of 4ubd by Molmil
Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J.
登録日2014-08-12
公開日2015-06-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
7YR5
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BU of 7yr5 by Molmil
Embigin facilitates monocarboxylate transporter 1 localization to plasma membrane and transition to a decoupling state
分子名称: Embigin, Monocarboxylate transporter 1
著者Xu, B, Ye, S.
登録日2022-08-08
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Embigin facilitates monocarboxylate transporter 1 localization to the plasma membrane and transition to a decoupling state.
Cell Rep, 40, 2022
7M63
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BU of 7m63 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
分子名称: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Leonard, P.G, Cross, J.B.
登録日2021-03-25
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
7M7D
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BU of 7m7d by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968
分子名称: (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Leonard, P.G, Cross, J.B.
登録日2021-03-27
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
3UKR
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BU of 3ukr by Molmil
Crystal structure of Bos taurus Arp2/3 complex with bound inhibitor CK-666
分子名称: 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
著者Nolen, B.J, Han, M.
登録日2011-11-09
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton.
Chemmedchem, 7, 2012
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
7KHD
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BU of 7khd by Molmil
Human GITR-GITRL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-21
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.956102 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7KHX
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BU of 7khx by Molmil
Mouse GITR-GITRL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ...
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-22
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.20569849 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7PQV
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BU of 7pqv by Molmil
MEK1 IN COMPLEX WITH COMPOUND 7
分子名称: 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Moebitz, H.
登録日2021-09-20
公開日2022-03-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
7R1O
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BU of 7r1o by Molmil
p62-ZZ domain of the human sequestosome in complex with dusquetide
分子名称: Dusquetide, Sequestosome-1, ZINC ION
著者Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O.
登録日2022-02-03
公開日2022-05-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
8HJT
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BU of 8hjt by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ...
著者Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-11-23
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8QJR
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BRG1 bromodomain in complex with VBC via compound 17
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.191 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJT
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BU of 8qjt by Molmil
BRM (SMARCA2) Bromodomain in complex with ligand 10
分子名称: 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020

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