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6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
7S0I
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BU of 7s0i by Molmil
CRYSTAL STRUCTURE OF N1 NEURAMINIDASE FROM A/Michigan/45/2015(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Zhu, X, Wilson, I.A.
登録日2021-08-30
公開日2021-12-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献A Novel Recombinant Influenza Virus Neuraminidase Vaccine Candidate Stabilized by a Measles Virus Phosphoprotein Tetramerization Domain Provides Robust Protection from Virus Challenge in the Mouse Model.
Mbio, 12, 2021
7SP5
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BU of 7sp5 by Molmil
Crystal Structure of a Eukaryotic Phosphate Transporter
分子名称: PHOSPHATE ION, Phosphate transporter, nonyl beta-D-glucopyranoside
著者Stroud, R.M, Pedersen, B.P, Kumar, H, Waight, A.B, Risenmay, A.J, Roe-Zurz, Z, Chau, B.H, Schlessinger, A, Bonomi, M, Harries, W, Sali, A, Johri, A.K, Finer-Moore, J.
登録日2021-11-02
公開日2021-11-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a eukaryotic phosphate transporter.
Nature, 496, 2013
7SHU
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BU of 7shu by Molmil
IgE-Fc in complex with omalizumab variant C02
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SI0
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BU of 7si0 by Molmil
IgE-Fc in complex with 813
分子名称: 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-12
公開日2021-12-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
6DIX
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BU of 6dix by Molmil
NFVFGT segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 98-103, assembled as an amyloid fibril
分子名称: NFVFGT Immunoglobulin Light-Chain Variable Domain
著者Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S.
登録日2018-05-23
公開日2018-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
7SHZ
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BU of 7shz by Molmil
IgE-Fc in complex with HAE
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
6DMG
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BU of 6dmg by Molmil
A multiconformer ligand model of EK6 bound to ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6DN3
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BU of 6dn3 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA
分子名称: 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
7SPO
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BU of 7spo by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 3B4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
著者Shi, K, Aihara, H.
登録日2021-11-02
公開日2022-01-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021
9GSV
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BU of 9gsv by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4c
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-16
公開日2025-09-24
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
9GSW
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BU of 9gsw by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4d
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-trimethylsilylethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-16
公開日2025-09-24
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
6DOK
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BU of 6dok by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 25 mM K+ for 120 s at 21 C (dataset 1)
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
9GTT
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BU of 9gtt by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4l
分子名称: (2R,3R,4R,5S)-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-18
公開日2025-10-01
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
6DPC
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BU of 6dpc by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 12 mM Mn2+ and 200 mM K+ for 40 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7SLY
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BU of 7sly by Molmil
Vanin-1 complexed with Compound 27
分子名称: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
著者Vajdos, F.F.
登録日2021-10-25
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
8JL3
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BU of 8jl3 by Molmil
membrane proteins
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, ACETYL COENZYME *A, ...
著者Yu, J, Ge, J.P, Xu, R.S.
登録日2023-06-02
公開日2024-05-22
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structure and mechanism of lysosome transmembrane acetylation by HGSNAT.
Nat.Struct.Mol.Biol., 31, 2024
7SLX
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BU of 7slx by Molmil
Vanin-1 complexed with Compound 11
分子名称: (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
著者Vajdos, F.F.
登録日2021-10-25
公開日2022-01-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
7SLV
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Vanin-1 complexed with Compound 3
分子名称: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ...
著者Vajdos, F.F.
登録日2021-10-25
公開日2022-01-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.
J.Med.Chem., 65, 2022
6DQT
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BU of 6dqt by Molmil
Crystal structure of Haemophilus influenzae OppA complex with LGG
分子名称: ACETATE ION, LEU-GLY-GLY, Periplasmic oligopeptide-binding protein, ...
著者Tanaka, K.J, Pinkett, H.W.
登録日2018-06-11
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
9GTC
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BU of 9gtc by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4g
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-pentyl-piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-17
公開日2025-10-01
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
9GTD
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BU of 9gtd by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4i
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(2-cyclohexylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-17
公開日2025-10-01
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
9GTN
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Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4k
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-18
公開日2025-10-01
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
9GTL
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BU of 9gtl by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4j
分子名称: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
登録日2024-09-18
公開日2025-10-01
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
8JL4
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membrane proteins
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, CHOLESTEROL, ...
著者Yu, J, Ge, J.P, Xu, R.S.
登録日2023-06-02
公開日2024-05-22
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献membrane proteins
To Be Published

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件を2025-10-29に公開中

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