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7PCN
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BU of 7pcn by Molmil
BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
7PCI
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BU of 7pci by Molmil
BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
7PCL
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BU of 7pcl by Molmil
BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins
分子名称: (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
7VLK
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BU of 7vlk by Molmil
eIF2B-SFSV NSs C2-imposed
分子名称: Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Kashiwagi, K, Ito, T.
登録日2021-10-04
公開日2021-12-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
2IO5
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BU of 2io5 by Molmil
Crystal structure of the CIA- histone H3-H4 complex
分子名称: ASF1A protein, Histone H3.1, Histone H4
著者Natsume, R, Akai, Y, Horikoshi, M, Senda, T.
登録日2006-10-10
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4.
Nature, 446, 2007
4YN8
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BU of 4yn8 by Molmil
Crystal Structure of Response Regulator ChrA in Heme-Sensing Two Component System
分子名称: MAGNESIUM ION, Response regulator ChrA, SULFATE ION
著者Doi, A, Nakamura, H, Shiro, Y, Sugimoto, H.
登録日2015-03-09
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the response regulator ChrA in the haem-sensing two-component system of Corynebacterium diphtheriae.
Acta Crystallogr.,Sect.F, 71, 2015
5ZC9
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BU of 5zc9 by Molmil
Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex
分子名称: (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
著者Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T.
登録日2018-02-16
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol. Cell, 73, 2019
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
1LOP
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BU of 1lop by Molmil
CYCLOPHILIN A COMPLEXED WITH SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE
分子名称: CYCLOPHILIN A, SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE
著者Konno, M.
登録日1996-06-17
公開日1996-12-23
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The substrate-binding site in Escherichia coli cyclophilin A preferably recognizes a cis-proline isomer or a highly distorted form of the trans isomer.
J.Mol.Biol., 256, 1996
7F67
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BU of 7f67 by Molmil
eIF2B-SFSV NSs-2-eIF2
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, Non-structural protein NS-S, ...
著者Kashiwagi, K, Ito, T.
登録日2021-06-24
公開日2021-12-01
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
7F66
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BU of 7f66 by Molmil
eIF2B-SFSV NSs-1-eIF2
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, Non-structural protein NS-S, ...
著者Kashiwagi, K, Ito, T.
登録日2021-06-24
公開日2021-12-01
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
7F64
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BU of 7f64 by Molmil
eIF2B-SFSV NSs
分子名称: Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Kashiwagi, K, Ito, T.
登録日2021-06-24
公開日2021-12-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
7D4C
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BU of 7d4c by Molmil
Structure of L-lysine oxidase precursor
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, PHOSPHATE ION
著者Ito, N, Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K.
登録日2020-09-23
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
7D4D
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BU of 7d4d by Molmil
Structure of L-lysine oxidase precursor in complex with L-lysine (1.24M)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, LYSINE
著者Kitagawa, M, Ito, N, Matsumoto, Y, Inagaki, K, Imada, K.
登録日2020-09-23
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
7D4E
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BU of 7d4e by Molmil
Structure of L-lysine oxidase precursor in complex with L-lysine (1.0 M)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, LYSINE
著者Kitagawa, M, Ito, N, Matsumoto, Y, Inagaki, K, Imada, K.
登録日2020-09-23
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
6W52
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BU of 6w52 by Molmil
Prefusion RSV F bound by neutralizing antibody RSB1
分子名称: Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ...
著者Harshbarger, W, Chandramouli, S, Malito, M.
登録日2020-03-12
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
6E3H
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BU of 6e3h by Molmil
Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin
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, ...
著者Wu, N.C, Wilson, I.A.
登録日2018-07-14
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The D3-9 gene segment encodes for recurring and adaptable binding motifs in broadly neutralizing antibodies to influenza virus
Cell Host Microbe, 2018
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: 1,2-ETHANEDIOL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-20
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
分子名称: GLYCEROL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-31
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: Polymerase PB2
著者Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-12-21
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
1JDO
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BU of 1jdo by Molmil
SPERM WHALE MYOGLOBIN (FERROUS, NITRIC OXIDE BOUND)
分子名称: MYOGLOBIN, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brucker, E.A, Phillips Jr, G.N.
登録日1998-02-10
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitric oxide myoglobin: crystal structure and analysis of ligand geometry.
Proteins, 30, 1998
6AAJ
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BU of 6aaj by Molmil
Crystal structure of JAK2 in complex with peficitinib
分子名称: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2
著者Amano, Y, Tateishi, Y.
登録日2018-07-18
公開日2018-08-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018

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