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5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5DE1
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BU of 5de1 by Molmil
Crystal structure of human IDH1 in complex with GSK321A
分子名称: (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Concha, N.O, Smallwood, A, Qi, H.
登録日2015-08-25
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5H47
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BU of 5h47 by Molmil
Crystal structure of AOL complexed with 2-MeSe-Fuc
分子名称: Uncharacterized protein, methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside
著者Kato, R, Nishikawa, Y, Makyio, H.
登録日2016-10-31
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing
Bioorg. Med. Chem., 25, 2017
3F7H
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BU of 3f7h by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2008-11-09
公開日2009-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
6KRO
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BU of 6kro by Molmil
Tankyrase-2 in complex with RK-582
分子名称: 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2019-08-22
公開日2020-04-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
J.Med.Chem., 63, 2020
3F7I
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BU of 3f7i by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2008-11-09
公開日2009-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
3F7G
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BU of 3f7g by Molmil
Structure of the BIR domain from ML-IAP bound to a peptidomimetic
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 7, L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2008-11-09
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
8K1L
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BU of 8k1l by Molmil
Cryo-EM structure of Na+,K+-ATPase alpha2 from Artemia salina in cation-free E2P form
分子名称: Na+,K+-ATPase alpha2KK, Na+,K+-ATPase beta2, TETRAFLUOROALUMINATE ION
著者Abe, K, Artigas, P.
登録日2023-07-11
公開日2023-11-29
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献A Na pump with reduced stoichiometry is up-regulated by brine shrimp in extreme salinities.
Proc.Natl.Acad.Sci.USA, 120, 2023
7PSA
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BU of 7psa by Molmil
The acetogenin-bound complex I of Mus musculus resolved to 3.4 angstroms
分子名称: (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Grba, D, Hirst, J.
登録日2021-09-22
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-electron microscopy reveals how acetogenins inhibit mitochondrial respiratory complex I.
J.Biol.Chem., 298, 2022
8IBS
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BU of 8ibs by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose
分子名称: Beta-galactosidase, alpha-D-galactopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBR
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BU of 8ibr by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis in complex with glycerol
分子名称: Beta-galactosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBT
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BU of 8ibt by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose
分子名称: Beta-galactosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
2D24
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BU of 2d24 by Molmil
Crystal structure of ES complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
1KA9
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BU of 1ka9 by Molmil
Imidazole Glycerol Phosphate Synthase
分子名称: imidazole glycerol phosphate synthase
著者Omi, R, Miyahara, I, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2001-11-01
公開日2002-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of imidazole glycerol phosphate synthase from Thermus thermophilus HB8: open-closed conformational change and ammonia tunneling.
J.Biochem., 132, 2002
2D22
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BU of 2d22 by Molmil
Crystal structure of covalent glycosyl-enzyme intermediate of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
2D1Z
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BU of 2d1z by Molmil
Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
2D20
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Crystal structure of michaelis complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, P-NITROPHENOL, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
2D23
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BU of 2d23 by Molmil
Crystal structure of EP complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: AZIDE ION, ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, ...
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
5HXI
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2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5HN bound
分子名称: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ...
著者Kobayashi, J, Mikami, B.
登録日2016-01-30
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of the Tyr270 residue in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti
J. Biosci. Bioeng., 123, 2017
3L85
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Crystal structure of human NUDT5 complexed with 8-oxo-dGMP
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, ADP-sugar pyrophosphatase
著者Arimori, T, Yamagata, Y.
登録日2009-12-29
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
5GMD
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Crystal structure of Sulfolobus solfataricus diphosphomevalonate decarboxylase in complex with ATP-gamma-S
分子名称: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, Diphosphomevalonate decarboxylase, ...
著者Unno, H, Hemmi, H, Hattori, A.
登録日2016-07-13
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase
J. Biol. Chem., 292, 2017
5GME
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Crystal structure of Sulfolobus solfataricus Diphosphomevalonate decarboxylase in complex with ADP
分子名称: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Unno, H, Hemmi, H, Hattori, A.
登録日2016-07-13
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase
J. Biol. Chem., 292, 2017
1ROM
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BU of 1rom by Molmil
CRYSTAL STRUCTURE OF NITRIC REDUCTASE FROM DENITRIFYING FUNGUS FUSARIUM OXYSPORUM
分子名称: CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE
著者Park, S.-Y, Nakagawa, A.
登録日1997-03-24
公開日1997-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of nitric oxide reductase from denitrifying fungus Fusarium oxysporum.
Nat.Struct.Biol., 4, 1997
1AY8
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AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH 3-PHENYLPROPIONATE
分子名称: AROMATIC AMINO ACID AMINOTRANSFERASE, HYDROCINNAMIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Okamoto, A, Hirotsu, K, Kagamiyama, H.
登録日1997-11-14
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Paracoccus denitrificans aromatic amino acid aminotransferase: a substrate recognition site constructed by rearrangement of hydrogen bond network.
J.Mol.Biol., 280, 1998

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