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6ADY
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BU of 6ady by Molmil
Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine protease NS3
著者Fang, J, Lu, G, Gong, P.
登録日2018-08-02
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment.
ACS Infect Dis, 5, 2019
6ADW
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BU of 6adw by Molmil
Crystal structure of the Zika virus NS3 helicase (apo form)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, Serine protease NS3
著者Fang, J, Lu, G, Gong, P.
登録日2018-08-02
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment.
ACS Infect Dis, 5, 2019
8WR2
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BU of 8wr2 by Molmil
Crystal Structure of Human Pyridoxal Kinase with bound Luteolin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ...
著者Fan, J, Zhu, Y.
登録日2023-10-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
4QXI
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BU of 4qxi by Molmil
Crystal structure of human AR complexed with NADP+ and AK198
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D.
登録日2014-07-21
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.867 Å)
主引用文献The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
4LB3
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BU of 4lb3 by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LAZ
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BU of 4laz by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LAU
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BU of 4lau by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.843 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LBR
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BU of 4lbr by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LBS
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BU of 4lbs by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.76 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
5CVC
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BU of 5cvc by Molmil
Structure of maize serine racemase
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase
著者Song, Y, Zou, L, Fan, J.
登録日2015-07-26
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of maize serine racemase with pyridoxal 5'-phosphate.
Acta Crystallogr.,Sect.F, 72, 2016
4CKG
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BU of 4ckg by Molmil
Helical reconstruction of ACAP1(BAR-PH domain) decorated membrane tubules by cryo-electron microscopy
分子名称: ARF-GAP WITH COILED-COIL, ANK REPEAT AND PH DOMAIN-CONTAINING PROTEIN 1
著者Pang, X.Y, Fan, J, Zhang, Y, Zhang, K, Gao, B.Q, Ma, J, Li, J, Deng, Y.C, Zhou, Q.J, Hsu, V, Sun, F.
登録日2014-01-06
公開日2014-10-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献A Ph Domain in Acap1 Possesses Key Features of the Bar Domain in Promoting Membrane Curvature.
Dev.Cell, 31, 2014
4CKH
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BU of 4ckh by Molmil
Helical reconstruction of ACAP1(BAR-PH domain) decorated membrane tubules by cryo-electron microscopy
分子名称: ARF-GAP WITH COILED-COIL, ANK REPEAT AND PH DOMAIN-CONTAINING PROTEIN 1
著者Pang, X.Y, Fan, J, Zhang, Y, Zhang, K, Gao, B.Q, Ma, J, Li, J, Deng, Y.C, Zhou, Q.J, Hsu, V, Sun, F.
登録日2014-01-06
公開日2014-10-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献A Ph Domain in Acap1 Possesses Key Features of the Bar Domain in Promoting Membrane Curvature.
Dev.Cell, 31, 2014
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
分子名称: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SQG
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BU of 8sqg by Molmil
OXA-48 bound to inhibitor CDD-2801
分子名称: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
2I85
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BU of 2i85 by Molmil
NMR solution structure of Human ephrinB2 ectodomain
分子名称: Ephrin-B2
著者Ran, X, Fan, J, Song, J.
登録日2006-09-01
公開日2007-09-04
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献NMR solution structure of Human ephrinB2 ectodomain
To be published
6QJP
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BU of 6qjp by Molmil
Cryo-EM structure of heparin-induced 2N4R tau jagged filaments
分子名称: Microtubule-associated protein tau
著者Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
登録日2019-01-24
公開日2019-02-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJH
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BU of 6qjh by Molmil
Cryo-EM structure of heparin-induced 2N4R tau snake filaments
分子名称: Microtubule-associated protein tau
著者Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
登録日2019-01-24
公開日2019-02-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJM
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BU of 6qjm by Molmil
Cryo-EM structure of heparin-induced 2N4R tau twister filaments
分子名称: Microtubule-associated protein tau
著者Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
登録日2019-01-24
公開日2019-02-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
6QJQ
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BU of 6qjq by Molmil
Cryo-EM structure of heparin-induced 2N3R tau filaments
分子名称: Microtubule-associated protein tau
著者Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
登録日2019-01-24
公開日2019-02-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
3BS8
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BU of 3bs8 by Molmil
Crystal structure of Glutamate 1-Semialdehyde Aminotransferase complexed with pyridoxamine-5'-phosphate From Bacillus subtilis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase
著者Ge, H, Fan, J, Teng, M, Niu, L.
登録日2007-12-22
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Glutamate1-semialdehyde aminotransferase from Bacillus subtilis with bound pyridoxamine-5'-phosphate
Biochem.Biophys.Res.Commun., 402, 2010
5H3D
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BU of 5h3d by Molmil
Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation
分子名称: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
著者Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J.
登録日2016-10-22
公開日2019-01-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.
Plos Comput.Biol., 15, 2019
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
5JQM
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BU of 5jqm by Molmil
Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 Void of Bound Phospholipid from Saccharomyces Cerevisiae at 1.5 Angstroms Resolution
分子名称: Protein UPS1, mitochondrial,Mitochondrial distribution and morphology protein 35
著者Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F.
登録日2016-05-05
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular mechanism of mitochondrial phosphatidate transfer by Ups1
Commun Biol, 2020

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