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6Y1K
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BU of 6y1k by Molmil
Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant
分子名称: FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain
著者Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
登録日2020-02-12
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Y1M
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BU of 6y1m by Molmil
Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant
分子名称: DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN
著者Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
登録日2020-02-12
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
分子名称: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
2DDH
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BU of 2ddh by Molmil
Crystal Structure of Acyl-CoA oxidase complexed with 3-OH-dodecanoate
分子名称: (3R)-3-HYDROXYDODECANOIC ACID, Acyl-CoA oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Keiji, T, Nakajima, Y, Miyahara, I, Hirotsu, K.
登録日2006-01-29
公開日2006-03-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Three-Dimensional Structure of Rat-Liver Acyl-CoA Oxidase in Complex with a Fatty Acid: Insights into Substrate-Recognition and Reactivity toward Molecular Oxygen.
J.Biochem.(Tokyo), 139, 2006
7X73
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BU of 7x73 by Molmil
Structure of G9a in complex with RK-701
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
登録日2022-03-09
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
4YOX
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BU of 4yox by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 in complex with poly-dT
分子名称: 3-5 exonuclease PhoExo I, 5'-D(*TP*TP*TP*TP*TP*TP*T)-3'
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
4YOU
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BU of 4you by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 at 2.20A resolution.
分子名称: 3-5 exonuclease PhoExo I, MAGNESIUM ION
著者Miyazono, K, Tsutsumi, K, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
5GHS
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BU of 5ghs by Molmil
DNA replication protein
分子名称: Putative uncharacterized protein, SULFATE ION, SsDNA-specific exonuclease
著者Oyama, T.
登録日2016-06-20
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Atomic structure of an archaeal GAN suggests its dual roles as an exonuclease in DNA repair and a CMG component in DNA replication.
Nucleic Acids Res., 44, 2016
5GHR
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BU of 5ghr by Molmil
DNA replication protein
分子名称: Putative uncharacterized protein, SULFATE ION, SsDNA-specific exonuclease
著者Oyama, T.
登録日2016-06-20
公開日2016-10-12
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Atomic structure of an archaeal GAN suggests its dual roles as an exonuclease in DNA repair and a CMG component in DNA replication.
Nucleic Acids Res., 44, 2016
5GHT
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BU of 5ght by Molmil
DNA replication protein
分子名称: SsDNA-specific exonuclease
著者Oyama, T.
登録日2016-06-20
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Atomic structure of an archaeal GAN suggests its dual roles as an exonuclease in DNA repair and a CMG component in DNA replication.
Nucleic Acids Res., 44, 2016
3VJL
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BU of 3vjl by Molmil
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2
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, Dipeptidyl peptidase 4, ...
著者Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S.
登録日2011-10-24
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
3VJK
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BU of 3vjk by Molmil
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513
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, Dipeptidyl peptidase 4, ...
著者Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S.
登録日2011-10-24
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
4YOV
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BU of 4yov by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 in complex with poly-dA
分子名称: 3-5 exonuclease PhoExo I, 5'-D(*AP*AP*AP*AP*AP*AP*A)-3'
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
4YOY
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BU of 4yoy by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 in complex with poly-dT and Mg2+ ion
分子名称: 3-5 exonuclease PhoExo I, 5'-D(*TP*TP*TP*TP*TP*TP*T)-3', MAGNESIUM ION
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
4YOW
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BU of 4yow by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 in complex with poly-dC
分子名称: 3-5 exonuclease PhoExo I, 5'-D(*CP*CP*CP*CP*CP*CP*C)-3'
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
4YOT
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BU of 4yot by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 at 2.15A resolution
分子名称: 3-5 exonuclease PhoExo I, MAGNESIUM ION
著者Miyazono, K, Tsutsumi, K, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
8HW1
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BU of 8hw1 by Molmil
Far-red light-harvesting complex of Antarctic alga Prasiola crispa
分子名称: (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (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, CHLOROPHYLL A, ...
著者Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T.
登録日2022-12-28
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Uphill energy transfer mechanism for photosynthesis in an Antarctic alga.
Nat Commun, 14, 2023
4YOR
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BU of 4yor by Molmil
Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 at 1.52A resolution.
分子名称: 3-5 exonuclease PhoExo I, MAGNESIUM ION
著者Miyazono, K, Tsutsumi, K, Tanokura, M.
登録日2015-03-12
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural basis for substrate recognition and processive cleavage mechanisms of the trimeric exonuclease PhoExo I
Nucleic Acids Res., 43, 2015
5ZB8
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BU of 5zb8 by Molmil
Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus
分子名称: PfuEndoQ, SAMARIUM (III) ION, ZINC ION
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2018-02-10
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus.
Nucleic Acids Res., 46, 2018
7DZY
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BU of 7dzy by Molmil
Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 2490
分子名称: Fab Heavy chain of enhancing antibody 2490, Fab light chain of enhancing antibody 2490, Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
7DZX
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BU of 7dzx by Molmil
Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 8D2
分子名称: Fab Heavy chain of enhancing antibody, Fab light chain of enhancing antibody, Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
7DZW
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BU of 7dzw by Molmil
Apo spike protein from SARS-CoV2
分子名称: Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
6B0F
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BU of 6b0f by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
分子名称: Estrogen receptor, GLYCEROL, LSZ102
著者Kirby, C.A, Baird, J.
登録日2017-09-14
公開日2018-04-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J. Med. Chem., 61, 2018
3SWC
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BU of 3swc by Molmil
GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide
分子名称: DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
登録日2011-07-13
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011

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