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7EU3
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BU of 7eu3 by Molmil
Chloroplast NDH complex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ...
著者Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
登録日2021-05-15
公開日2021-12-29
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7EWK
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BU of 7ewk by Molmil
Barley photosystem I-LHCI-Lhca6 supercomplex
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
登録日2021-05-25
公開日2022-01-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
9MEL
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BU of 9mel by Molmil
Structure of the human TWIK-2 potassium channel in complex with pimozide
分子名称: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, POTASSIUM ION, Potassium channel subfamily K member 6
著者Khanra, N.K, Long, S.B.
登録日2024-12-06
公開日2025-04-23
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structure of the human TWIK-2 potassium channel and its inhibition by pimozide.
Proc.Natl.Acad.Sci.USA, 122, 2025
9MEK
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BU of 9mek by Molmil
Structure of the human TWIK-2 potassium channel
分子名称: HEPTANE, POTASSIUM ION, Potassium channel subfamily K member 6
著者Khanra, N.K, Long, S.B.
登録日2024-12-06
公開日2025-04-23
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structure of the human TWIK-2 potassium channel and its inhibition by pimozide
To Be Published
3CTM
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BU of 3ctm by Molmil
Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity
分子名称: Carbonyl Reductase
著者Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z.
登録日2008-04-14
公開日2008-05-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
8FIU
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BU of 8fiu by Molmil
Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold
分子名称: 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Nolte, R.T.
登録日2022-12-16
公開日2023-02-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
J.Med.Chem., 66, 2023
3SE9
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BU of 3se9 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-PG04 in complex with HIV-1 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
3SE8
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BU of 3se8 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
3SDN
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BU of 3sdn by Molmil
Structure of G65I sperm whale myoglobin mutant
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Myoglobin, ...
著者Lebioda, L, Huang, X.
登録日2011-06-09
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Amphitrite ornata Dehaloperoxidase (DHP): Investigations of Structural Factors That Influence the Mechanism of Halophenol Dehalogenation Using "Peroxidase-like" Myoglobin Mutants and "Myoglobin-like" DHP Mutants.
Biochemistry, 50, 2011
6KZ1
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BU of 6kz1 by Molmil
Complex structure of Whirlin and Myosin XVa
分子名称: Myosin XVa, Whirlin
著者Lin, L, Wang, M, Shi, Y, Zhu, J, Zhang, R.
登録日2019-09-22
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Phase separation-mediated condensation of Whirlin-Myo15-Eps8 stereocilia tip complex.
Cell Rep, 34, 2021
1QT1
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BU of 1qt1 by Molmil
CRYSTAL STRUCTURE OF XYLOSE ISOMERASE FROM STREPTOMYCES DIASTATICUS NO.7 M1033 AT 1.85 A RESOLUTION
分子名称: COBALT (II) ION, PROTEIN (XYLOSE ISOMERASE)
著者Niu, L, Teng, M, Zhu, X.
登録日1999-06-29
公開日2000-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
8HIW
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BU of 8hiw by Molmil
AtALMT9 in the apo state
分子名称: Aluminum-activated malate transporter 9, CITRIC ACID
著者Gong, D.S.
登録日2022-11-22
公開日2024-03-06
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity.
Cell Rep, 43, 2024
8HIY
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BU of 8hiy by Molmil
AtALMT9 plus malate
分子名称: Aluminum-activated malate transporter 9
著者Gong, D.S.
登録日2022-11-22
公開日2024-03-06
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity.
Cell Rep, 43, 2024
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
分子名称: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
著者Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
登録日2015-02-18
公開日2015-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2018-01-02
公開日2018-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6RGV
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BU of 6rgv by Molmil
Truncated FljB phase 2 flagellin
分子名称: Flagellin
著者Lunelli, M, Lokareddy, R.K, Kolbe, M.
登録日2019-04-17
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methylation of Salmonella Typhimurium flagella promotes bacterial adhesion and host cell invasion.
Nat Commun, 11, 2020
8UAB
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BU of 8uab by Molmil
SARS-CoV-2 main protease (Mpro) complex with AC1115
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者DuPrez, K.T, Chao, A, Han, F.Q.
登録日2023-09-20
公開日2024-02-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
分子名称: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者Chao, A, DuPrez, K.T, Han, F.Q.
登録日2023-09-20
公開日2024-02-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
9BCT
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BU of 9bct by Molmil
Cryo-EM structure of Thermococcus kodakarensis FttA-dependent transcription pre-termination complex containing 44 nt RNA
分子名称: DNA-directed RNA polymerase subunit A", DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit B, ...
著者You, L, Ebright, R.H.
登録日2024-04-09
公開日2024-07-31
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis of archaeal FttA-dependent transcription termination.
Nature, 635, 2024
9BCU
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BU of 9bcu by Molmil
Cryo-EM structure of Thermococcus kodakarensis FttA-dependent transcription pre-termination complex containing 52 nt RNA
分子名称: DNA-directed RNA polymerase subunit A", DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit B, ...
著者You, L, Ebright, R.H.
登録日2024-04-09
公開日2024-07-31
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural basis of archaeal FttA-dependent transcription termination.
Nature, 635, 2024
9BF1
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BU of 9bf1 by Molmil
Structure of apo-state V. cholerae DdmD
分子名称: Helicase/UvrB N-terminal domain-containing protein
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2024-04-16
公開日2024-08-21
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
9BF5
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BU of 9bf5 by Molmil
Structure of V. cholerae DdmD in complex with ssDNA
分子名称: Helicase/UvrB N-terminal domain-containing protein, ssDNA1, ssDNA2
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2024-04-16
公開日2024-09-04
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献DdmDE eliminates plasmid invasion by DNA-guided DNA targeting.
Cell, 187, 2024
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
5QTT
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BU of 5qtt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-10-16
公開日2019-12-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019

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件を2025-07-09に公開中

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