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7QVK
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BU of 7qvk by Molmil
NM-02 in complex with HER2-ECD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ...
著者Cowan, R, Hall, G, Carr, M.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool.
Plos One, 18, 2023
6N4Y
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Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
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, Metabotropic glutamate receptor 5, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.262 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
4H45
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BU of 4h45 by Molmil
Product Complexes of Porcine Liver Fructose-1,6-bisphosphatase with Mutation E192Q
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, PHOSPHATE ION, ...
著者Gao, Y, Honzatko, R.B.
登録日2012-09-16
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP
To be Published
3JPW
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BU of 3jpw by Molmil
Crystal structure of amino terminal domain of the NMDA receptor subunit NR2B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ...
著者Karakas, E, Simorowski, N, Furukawa, H.
登録日2009-09-04
公開日2009-12-08
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit.
Embo J., 28, 2009
7TPD
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BU of 7tpd by Molmil
Integrin alaphIIBbeta3 complex with EF5154
分子名称: (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 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Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-25
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7THO
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BU of 7tho by Molmil
Integrin alaphIIBbeta3 complex with Eptifibatide
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, CALCIUM ION, ...
著者Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-11
公開日2022-08-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TMZ
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BU of 7tmz by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 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Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
登録日2022-01-20
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.20002 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9F
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BU of 7u9f by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+
分子名称: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 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Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.70000529 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
8AKF
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BU of 8akf by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide
分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
7U60
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BU of 7u60 by Molmil
Integrin alaphIIBbeta3 complex with cRGDfV
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, ARG-GLY-ASP-DPN-VAL, ...
著者Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
登録日2022-03-03
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
6STX
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BU of 6stx by Molmil
Copper oxidase from Colletotrichum graminicola
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Kelch domain-containing protein, ...
著者Offen, W.A, Henrissat, B, Davies, G.J.
登録日2019-09-12
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
7O1P
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BU of 7o1p by Molmil
[FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent)
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBONATE ION, CHLORIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
6T16
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BU of 6t16 by Molmil
ASR Alternansucrase in complex with panose
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ...
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-03
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
8AK6
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BU of 8ak6 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK9
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BU of 8ak9 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment Isatin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6SZI
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BU of 6szi by Molmil
ASR Alternansucrase in complex with isomaltose
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-02
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
8AK7
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BU of 8ak7 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine
分子名称: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKA
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BU of 8aka by Molmil
Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKE
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BU of 8ake by Molmil
Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6VPJ
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BU of 6vpj by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TPX2 fragment - Aurora A kinase domain fusion, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Lim, D.C, Yaffe, M.B.
登録日2020-02-03
公開日2020-08-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
8AK8
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BU of 8ak8 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide
分子名称: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKG
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BU of 8akg by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide
分子名称: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6T1P
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BU of 6t1p by Molmil
ASR Alternansucrase in complex with isomaltononaose
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-04
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
4EY6
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BU of 4ey6 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
分子名称: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 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 (2.3983 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
6W03
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BU of 6w03 by Molmil
Crystal Structure of HIV-1 BG505 DS-SOSIP.3mut Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.3 Angstrom
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, 35O22 scFv heavy chain, ...
著者Lai, Y.-T, Kwong, P.D.
登録日2020-02-28
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of a 3Mut-Apex-Stabilized Envelope Trimer That Expands HIV-1 Neutralization Breadth When Used To Boost Fusion Peptide-Directed Vaccine-Elicited Responses.
J.Virol., 94, 2020

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件を2024-08-21に公開中

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