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8JTT
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BU of 8jtt by Molmil
hOCT1 in complex with metformin in outward occluded conformation
分子名称: Metformin, Solute carrier family 22 member 1
著者Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X.
登録日2023-06-22
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
8JTW
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BU of 8jtw by Molmil
hOCT1 in complex with nb5660 in inward facing partially open 1 conformation
分子名称: Solute carrier family 22 member 1, nanobody 56
著者Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X.
登録日2023-06-22
公開日2024-03-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
8JTY
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BU of 8jty by Molmil
hOCT1 in complex with nb5660 in inward facing partially open 2 conformation
分子名称: Solute carrier family 22 member 1, nanobody 56
著者Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X.
登録日2023-06-22
公開日2024-03-27
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
8BEH
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BU of 8beh by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane tip)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-10-21
公開日2023-01-11
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BPX
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BU of 8bpx by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-11-18
公開日2023-01-25
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
6XYH
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BU of 6xyh by Molmil
NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)
分子名称: AMS3
著者Mineev, K.S, Kornilov, F.D, Lushpa, V.A, Logashina, Y.A, Maleeva, E.E, Andreev, Y.A.
登録日2020-01-30
公開日2021-02-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)
To Be Published
7AR7
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BU of 7ar7 by Molmil
Cryo-EM structure of Arabidopsis thaliana complex-I (open conformation)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ...
著者Klusch, N, Kuelbrandt, W.
登録日2020-10-23
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
6XYI
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BU of 6xyi by Molmil
NMR solution structure of alpha-AnmTX- Ms11a-3 (Ms11a-3)
分子名称: AMS9.3.1
著者Mineev, K.S, Kornilov, F.D, Lushpa, V.A, Logashina, Y.A, Maleeva, E.E, Andreev, Y.A.
登録日2020-01-30
公開日2021-02-10
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献NMR solution structure of alpha-AnmTX- Ms11a-3 (Ms11a-3)
TO BE PUBLISHED
7ULG
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BU of 7ulg by Molmil
recombinant alpha cobra toxin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Alpha-cobratoxin
著者Xu, J, Lei, X, Chen, L.
登録日2022-04-04
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure of recombinant alpha cobra toxin at 1.57 Angstroms
To Be Published
2KGL
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BU of 2kgl by Molmil
NMR solution structure of MESD
分子名称: Mesoderm development candidate 2
著者Chen, J, Wang, J.
登録日2009-03-12
公開日2010-03-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Two Structural and Functional Domains of MESD Required for Proper Folding and Trafficking of LRP5/6.
Structure, 19, 2011
2R2N
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BU of 2r2n by Molmil
The crystal structure of human kynurenine aminotransferase II in complex with kynurenine
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, ...
著者Han, Q, Robinson, H, Li, J.
登録日2007-08-27
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human kynurenine aminotransferase II.
J.Biol.Chem., 283, 2008
7AWI
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BU of 7awi by Molmil
Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate
分子名称: 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Goral, I, Wieckowska, A.
登録日2020-11-08
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
7AWG
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BU of 7awg by Molmil
Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Brazzolotto, X, Wichur, T, Wieckowska, A.
登録日2020-11-08
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
7AWH
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BU of 7awh by Molmil
Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Brazzolotto, X, Wichur, T, Wieckowska, A.
登録日2020-11-08
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
2QLR
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BU of 2qlr by Molmil
Crystal structure of human kynurenine aminotransferase II
分子名称: GLYCEROL, Kynurenine/alpha-aminoadipate aminotransferase mitochondrial
著者Han, Q, Robinson, R, Li, J.
登録日2007-07-13
公開日2007-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Human Kynurenine Aminotransferase II
J.Biol.Chem., 283, 2008
3HLM
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BU of 3hlm by Molmil
Crystal Structure of Mouse Mitochondrial Aspartate Aminotransferase/Kynurenine Aminotransferase IV
分子名称: Aspartate aminotransferase, mitochondrial, GLYCEROL
著者Han, Q, Robinson, H, Li, J.
登録日2009-05-27
公開日2010-06-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure, expression, and function of kynurenine aminotransferases in human and rodent brains.
Cell.Mol.Life Sci., 67, 2010
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 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, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1M
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BU of 7q1m by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 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, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 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, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1P
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BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 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, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7ULQ
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BU of 7ulq by Molmil
Recombinant Hannalgesin
分子名称: ACETATE ION, GLYCEROL, Long neurotoxin OH-55, ...
著者Xu, J, Lei, X, Chen, L.
登録日2022-04-05
公開日2023-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant Hannalgesin at 2.2 Angstroms resolution.
To Be Published
4AU8
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BU of 4au8 by Molmil
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
分子名称: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
著者Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
登録日2012-05-14
公開日2013-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3IGQ
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BU of 3igq by Molmil
Crystal structure of the extracellular domain of a bacterial pentameric ligand-gated ion channel
分子名称: ACETIC ACID, CHLORIDE ION, Glr4197 protein, ...
著者Nury, H, Delarue, M.
登録日2009-07-28
公開日2009-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel
J.Mol.Biol., 395, 2010
2R5C
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BU of 2r5c by Molmil
Aedes Kynurenine Aminotransferase in Complex with Cysteine
分子名称: Kynurenine aminotransferase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
著者Han, Q, Gao, Y.G, Robinson, H, Li, J.
登録日2007-09-03
公開日2008-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural insight into the mechanism of substrate specificity of aedes kynurenine aminotransferase.
Biochemistry, 47, 2008
5VR1
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BU of 5vr1 by Molmil
Structure of a Turripeptide from Unedogemmula bisaya venom
分子名称: Turripeptide
著者Daly, N.L, Imperial, J.S.
登録日2017-05-09
公開日2017-11-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and Biological Activity of a Turripeptide from Unedogemmula bisaya Venom.
Biochemistry, 56, 2017

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