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6QMK
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BU of 6qmk by Molmil
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
5IWL
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BU of 5iwl by Molmil
CD47-diabody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ...
著者Di, W, Jude, K.M, Garcia, K.C.
登録日2016-03-22
公開日2016-06-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
6QMJ
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BU of 6qmj by Molmil
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6QMC
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BU of 6qmc by Molmil
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
分子名称: (3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2019-02-07
公開日2019-04-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
1GRT
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BU of 1grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1996-12-17
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3GRT
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BU of 3grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
分子名称: 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3POR
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BU of 3por by Molmil
PORIN CONFORMATION IN THE ABSENCE OF CALCIUM; REFINED STRUCTURE AT 2.5 ANGSTROMS RESOLUTION
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PORIN
著者Weiss, M.S, Schulz, G.E.
登録日1992-11-09
公開日1993-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Porin conformation in the absence of calcium. Refined structure at 2.5 A resolution.
J.Mol.Biol., 231, 1993
6FL4
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BU of 6fl4 by Molmil
A. thaliana NUDT1 in complex with 8-oxo-dGTP
分子名称: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1
著者Jemth, A.S, Scaletti-Hutchinson, E, Carter, M, Helleday, T, Stenmark, P.
登録日2018-01-25
公開日2019-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure and Substrate Specificity of the 8-oxo-dGTP Hydrolase NUDT1 from Arabidopsis thaliana.
Biochemistry, 58, 2019
5DBM
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BU of 5dbm by Molmil
Crystal structure of the CBP bromodomain in complex with CPI703
分子名称: (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2015-08-21
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
8AT2
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BU of 8at2 by Molmil
Structure of the augmin TIII subcomplex
分子名称: HAUS augmin like complex subunit 4 L homeolog, HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 3, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT4
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BU of 8at4 by Molmil
Structure of the augmin holocomplex in closed conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT3
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BU of 8at3 by Molmil
Structure of the augmin holocomplex in open conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
1FMD
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BU of 1fmd by Molmil
THE STRUCTURE AND ANTIGENICITY OF A TYPE C FOOT-AND-MOUTH DISEASE VIRUS
分子名称: FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP1), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP2), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP3), ...
著者Lea, S, Fry, E, Stuart, D.
登録日1994-02-10
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure and antigenicity of a type C foot-and-mouth disease virus.
Structure, 2, 1994
6S3D
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BU of 6s3d by Molmil
Structure of D25 Fab in complex with scaffold S0_2.126
分子名称: Heavy Chain, Light Chain, S0_2.126
著者Cramer, J.T, Krey, T.
登録日2019-06-25
公開日2020-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
3GRS
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BU of 3grs by Molmil
REFINED STRUCTURE OF GLUTATHIONE REDUCTASE AT 1.54 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, PHOSPHATE ION
著者Schulz, G.E, Karplus, P.A.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Refined structure of glutathione reductase at 1.54 A resolution.
J.Mol.Biol., 195, 1987
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE2
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BU of 8qe2 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDZ
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BU of 8qdz by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE1
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BU of 8qe1 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.095 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE3
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BU of 8qe3 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
分子名称: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
6K5O
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BU of 6k5o by Molmil
Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists
分子名称: (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Masuno, H, Kagechika, H, Ito, N.
登録日2019-05-29
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of novel lithocholic acid derivatives as vitamin D receptor agonists.
Bioorg.Med.Chem., 27, 2019
2VXX
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BU of 2vxx by Molmil
X-ray structure of DpsA from Thermosynechococcus elongatus
分子名称: DI(HYDROXYETHYL)ETHER, FE (III) ION, STARVATION INDUCED DNA BINDING PROTEIN, ...
著者Franceschini, S, Ilari, A.
登録日2008-07-14
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Thermosynechococcus Elongatus Dpsa Binds Zn(II) at a Unique Three Histidine-Containing Ferroxidase Center and Utilizes O2 as Iron Oxidant with Very High Efficiency, Unlike the Typical Dps Proteins.
FEBS J., 277, 2010
2L0Y
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BU of 2l0y by Molmil
Complex hMia40-hCox17
分子名称: COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) pseudogene (COX17), Mitochondrial intermembrane space import and assembly protein 40
著者Bertini, I, Ciofi-Baffoni, S, Gallo, A.
登録日2010-07-20
公開日2010-11-24
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.
Proc.Natl.Acad.Sci.USA, 107, 2010
4GRT
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BU of 4grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997

226707

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