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4EY8
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BU of 4ey8 by Molmil
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5958 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
6PDC
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BU of 6pdc by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PME
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BU of 6pme by Molmil
TRK-A IN COMPLEX WITH LIGAND
分子名称: High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ...
著者Subramanian, G, Brown, D.G.
登録日2019-07-01
公開日2020-02-26
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
5UFV
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BU of 5ufv by Molmil
Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)
分子名称: COPPER (II) ION, Glycoside hydrolase family 61 protein
著者Span, E.A, Deller, M.C, Marletta, M.A.
登録日2017-01-05
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Role of the Secondary Coordination Sphere in a Fungal Polysaccharide Monooxygenase.
ACS Chem. Biol., 12, 2017
6I57
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BU of 6i57 by Molmil
NMR structure of the third TPR domain of the human SPAG1 protein
分子名称: Sperm-associated antigen 1
著者Chagot, M.E, Quinternet, M.
登録日2018-11-13
公開日2019-06-05
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Binding properties of the quaternary assembly protein SPAG1.
Biochem.J., 476, 2019
4EVY
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BU of 4evy by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin
分子名称: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ...
著者Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-26
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
5GVC
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BU of 5gvc by Molmil
Human Topoisomerase IIIb topo domain
分子名称: DNA topoisomerase 3-beta-1, MAGNESIUM ION
著者Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
登録日2016-09-05
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
3KF5
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BU of 3kf5 by Molmil
Structure of invertase from Schwanniomyces occidentalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase
著者Sanz-Aparicio, J, Polo, A.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
4I4I
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BU of 4i4i by Molmil
Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP
分子名称: 6-phosphofructokinase, PHOSPHOENOLPYRUVATE
著者Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2012-11-27
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4948 Å)
主引用文献Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
6PDB
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BU of 6pdb by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDD
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BU of 6pdd by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41
分子名称: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-06-18
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
3KDM
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BU of 3kdm by Molmil
Crystal Structure of Human Anti-steroid Fab 5F2 in Complex with Testosterone
分子名称: Immunoglobulin heavy chain, Immunoglobulin light chain, TESTOSTERONE
著者Niemi, M.H, Rouvinen, J.
登録日2009-10-23
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The testosterone binding mechanism of an antibody derived from a naive human scFv library
J.Mol.Recognit., 24, 2010
3KF3
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BU of 3kf3 by Molmil
Structure of fructofuranosidase from Schwanniomyces occidentalis complexed with fructose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Invertase, beta-D-fructofuranose
著者Sanz-Aparicio, J, Polo, A.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
6PMC
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BU of 6pmc by Molmil
TRK-A IN COMPLEX WITH LIGAND 1a
分子名称: High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
著者Subramanian, G, Brown, D.G.
登録日2019-07-01
公開日2020-02-26
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6JG6
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BU of 6jg6 by Molmil
Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
分子名称: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
著者Schreuder, H.A, Liesum, A.
登録日2020-03-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
4EY4
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BU of 4ey4 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
分子名称: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
著者Schreuder, H.A, Liesum, A.
登録日2020-03-27
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6JGT
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BU of 6jgt by Molmil
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-14
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6PZL
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BU of 6pzl by Molmil
P. mirabilis hemolysin A mutant - Q125A
分子名称: GLYCEROL, Hemolysin
著者Weaver, T.M, Novak, W.R.P, Bhattacharyya, B.
登録日2019-08-01
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structure of the HpmA265 Q125A variant
To Be Published
5GVD
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BU of 5gvd by Molmil
Human TDRD3 DUF1767-OB domains
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
登録日2016-09-05
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
4EY7
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BU of 4ey7 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil
分子名称: 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3509 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
3FEC
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BU of 3fec by Molmil
Crystal structure of human Glutamate Carboxypeptidase III (GCPIII/NAALADase II), pseudo-unliganded
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, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Barinka, C, Lubkowski, J, Hlouchova, K.
登録日2008-11-28
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
4F0Y
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BU of 4f0y by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo
分子名称: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-05
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
分子名称: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
著者Spurlino, J.
登録日2017-01-05
公開日2017-04-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017

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件を2024-08-07に公開中

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