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4D5O
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BU of 4d5o by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4DG1
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BU of 4dg1 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
著者Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G.
登録日2012-01-24
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
4CPM
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BU of 4cpm by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPN
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BU of 4cpn by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-08
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4D5V
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BU of 4d5v by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5P
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BU of 4d5p by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5J
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BU of 4d5j by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotriose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-05
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zhang, J, Liu, H, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
6ZOV
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BU of 6zov by Molmil
ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6
分子名称: 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ...
著者Cummings, M.D.
登録日2020-07-07
公開日2020-10-21
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
J.Pharmacol.Exp.Ther., 375, 2020
6J98
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BU of 6j98 by Molmil
Crystal structure of P8 from Lactobacillus rhamnosus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, P8, ...
著者Cha, Y.J, Cho, H.S.
登録日2019-01-22
公開日2020-03-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of P8 from Lactobacillus rhamnosus
To Be Published
6Y83
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BU of 6y83 by Molmil
Capsid structure of Leishmania RNA virus 1
分子名称: Capsid protein
著者Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
登録日2020-03-03
公開日2020-11-11
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
4DLP
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BU of 4dlp by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis bound to selenomethionine
分子名称: Aminoacyl-tRNA synthetase, class I:Aminoacyl-tRNA synthetase, class Ia:Methionyl-tRNA synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-02-06
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
6S6W
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BU of 6s6w by Molmil
Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+
分子名称: 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S.
登録日2019-07-03
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
4CPZ
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BU of 4cpz by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Zanamivir
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
登録日2014-02-09
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-09-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
4NSK
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BU of 4nsk by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Allerbring, E.B, Duru, A.D, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
登録日2013-11-28
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P
TO BE PUBLISHED
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
分子名称: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
著者Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
登録日2023-08-14
公開日2023-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
5HU4
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BU of 5hu4 by Molmil
Cystal structure of listeria monocytogenes sortase A
分子名称: Cysteine protease
著者Li, H.
登録日2016-01-27
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
8A0L
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BU of 8a0l by Molmil
Tubulin-CW1-complex
分子名称: (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A.
登録日2022-05-28
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9981 Å)
主引用文献Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
4HS6
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BU of 4hs6 by Molmil
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody MRCT10.v362
分子名称: E2-peptide, MRCT10.v362 Fab heavy chain, MRCT10.v362 Fab light chain
著者Eigenbrot, C, Ultsch, M.
登録日2012-10-29
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies.
J.Mol.Biol., 425, 2013
5HRT
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BU of 5hrt by Molmil
Crystal structure of mouse autotaxin in complex with a DNA aptamer
分子名称: CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O.
登録日2016-01-24
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
1U1H
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BU of 1u1h by Molmil
A. thaliana cobalamine independent methionine synthase
分子名称: 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, SULFATE ION, ...
著者Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R.
登録日2004-07-15
公開日2004-09-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
4HVC
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BU of 4hvc by Molmil
Crystal structure of human prolyl-tRNA synthetase in complex with halofuginone and ATP analogue
分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Bifunctional glutamate/proline--tRNA ligase, MAGNESIUM ION, ...
著者Zhou, H, Sun, L, Yang, X.L, Schimmel, P.
登録日2012-11-06
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ATP-directed capture of bioactive herbal-based medicine on human tRNA synthetase.
Nature, 494, 2012
8PP0
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BU of 8pp0 by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147
分子名称: 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-07-05
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
J.Med.Chem., 67, 2024
7NA9
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BU of 7na9 by Molmil
Crystal structure of BoNT/B-LC-JSG-C1
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type B, JSG-C1, ...
著者Lam, K, Jin, R.
登録日2021-06-20
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022

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