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6EA4
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BU of 6ea4 by Molmil
ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maben, Z, Stern, L.J.
登録日2018-08-02
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human ER aminopeptidase 1 bound to aryl sulfonamide inhibitor.
To Be Published
3LRS
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BU of 3lrs by Molmil
Structure of PG16, an antibody with broad and potent neutralization of HIV-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PG-16 Heavy Chain Fab, PG-16 Light Chain Fab
著者Pancera, M, Kwong, P.D.
登録日2010-02-11
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
著者Roe, S.M, Fearon, D.
登録日2022-08-31
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
4G85
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BU of 4g85 by Molmil
Crystal structure of human HisRS
分子名称: Histidine-tRNA ligase, cytoplasmic
著者Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
登録日2012-07-21
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
1RQD
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BU of 1rqd by Molmil
deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site
分子名称: 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
登録日2003-12-04
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
3BDM
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BU of 3bdm by Molmil
yeast 20S proteasome:glidobactin A-complex
分子名称: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ...
著者Groll, M, Dudler, R, Kaiser, M.
登録日2007-11-15
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
7A3O
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BU of 7a3o by Molmil
Crystal structure of dengue 1 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: Core protein, GLYCEROL, SULFATE ION, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3R
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BU of 7a3r by Molmil
Crystal structure of dengue 1 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3N
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BU of 7a3n by Molmil
Crystal structure of Zika virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: CALCIUM ION, Core protein, EDE1 C10 Fab
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3T
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BU of 7a3t by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: Core protein, EDE1 C8 antibody Fab fragment, GLYCEROL, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
1RLZ
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BU of 1rlz by Molmil
Deoxyhypusine synthase holoenzyme in its high ionic strength, low pH crystal form
分子名称: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
登録日2003-11-26
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
7A3U
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BU of 7a3u by Molmil
Crystal structure of Zika virus envelope glycoprotein in complex with the divalent F(ab')2 fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: EDE1 C10 antibody divalent F(ab')2 fragment, EDE1 C10 divalent F(ab')2 fragment, Envelope protein
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3P
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BU of 7a3p by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Single Chain Variable Fragment
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3S
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BU of 7a3s by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SULFATE ION
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Navarro-Sanchez, E, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3Q
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BU of 7a3q by Molmil
Crystal structure of dengue 4 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
8J6Y
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BU of 8j6y by Molmil
Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
分子名称: Beta-lactamase PSE-4, SULFATE ION
著者Sarkar, M, Bhattacharya, S, Hazra, S.
登録日2023-04-26
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
To be published
5CBS
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BU of 5cbs by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution
分子名称: (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors.
J.Med.Chem., 59, 2016
1ROZ
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BU of 1roz by Molmil
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
分子名称: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
登録日2003-12-02
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
6KZT
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BU of 6kzt by Molmil
Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity
分子名称: Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L.
登録日2019-09-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
4ITF
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BU of 4itf by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
分子名称: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
5U65
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BU of 5u65 by Molmil
Camel Nanobody VHH-5
分子名称: SULFATE ION, VHH-5
著者Stanfield, R.L, Wilson, I.A.
登録日2016-12-07
公開日2017-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
4A6L
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BU of 4a6l by Molmil
beta-tryptase inhibitor
分子名称: 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1
著者Mathieu, M, Maignan, S.
登録日2011-11-04
公開日2012-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent.
Bioorg.Med.Chem.Lett., 22, 2012
5U64
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BU of 5u64 by Molmil
Camel nanobody VHH-28
分子名称: VHH-28
著者Stanfield, R.L, Wilson, I.A.
登録日2016-12-07
公開日2017-09-20
実験手法X-RAY DIFFRACTION (1.153 Å)
主引用文献Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
5CHE
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BU of 5che by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its regulatory proteins
分子名称: Glutamyl-tRNA reductase 1, chloroplastic, Glutamyl-tRNA reductase-binding protein, ...
著者Fang, Y, Liu, L.
登録日2015-07-10
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献The Arabidopsis glutamyl-tRNA reductase (GluTR) forms a ternary complex with FLU and GluTR-binding protein
Sci Rep, 6, 2016
3LO8
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BU of 3lo8 by Molmil
Crystal Structure of The Oxidized Form of Ferredoxin:NADP+ Reductase From Maize Root at 1.05 Angstroms
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, SODIUM ION
著者Faber, H.R, Karplus, P.A.
登録日2010-02-03
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins.
Acta Crystallogr.,Sect.D, 66, 2010

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件を2024-09-11に公開中

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