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6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
著者Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
登録日2018-08-09
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
5UD8
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BU of 5ud8 by Molmil
Crystal Structure of Mutant Ig-like Domain
分子名称: Triggering receptor expressed on myeloid cells 2
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
8BRA
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BU of 8bra by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA) and Mg2+
分子名称: MAGNESIUM ION, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
著者Richter, P.K, Strater, N.
登録日2022-11-22
公開日2023-04-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
8BRB
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BU of 8brb by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
分子名称: DIMETHYL SULFOXIDE, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
著者Richter, P.K, Strater, N.
登録日2022-11-22
公開日2023-04-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
8BS9
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BU of 8bs9 by Molmil
Structure of USP36 in complex with Ubiquitin-PA
分子名称: Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ...
著者O'Dea, R, Gersch, M.
登録日2022-11-24
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
8BS3
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BU of 8bs3 by Molmil
Structure of USP36 in complex with Fubi-PA
分子名称: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ...
著者O'Dea, R, Gersch, M.
登録日2022-11-24
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
4PT1
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BU of 4pt1 by Molmil
Crystal structure of Locusta migratoria odorant binding proteins lmigOBP1
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Odorant-binding protein 1d
著者Zheng, J, Li, J, Chen, Z.
登録日2014-03-10
公開日2014-12-31
最終更新日2015-10-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the Locusta migratoria odorant binding protein.
Biochem.Biophys.Res.Commun., 456, 2015
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
分子名称: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-07-10
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
7D64
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BU of 7d64 by Molmil
The crystal structure of SARS-CoV-2 3CLpro with Zinc
分子名称: 3C-like proteinase, ZINC ION
著者Mao, Z.W, Xia, W, Tao, X.
登録日2020-09-29
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.450116 Å)
主引用文献Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol.
J.Inorg.Biochem., 231, 2022
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
分子名称: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 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Scapin, G.
登録日2016-02-18
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016
5UD7
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BU of 5ud7 by Molmil
Crystal Structure of Wild-Type Ig-like Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, SULFATE ION, ...
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.20002246 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
2RL5
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BU of 2rl5 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor
分子名称: N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Zhao, H.
登録日2007-10-18
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.
J.Med.Chem., 51, 2008
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
著者Li, S, Li, T.
登録日2018-06-06
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.329 Å)
主引用文献Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
6A0X
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BU of 6a0x by Molmil
Crystal structure of broadly neutralizing antibody 13D4
分子名称: Antibody 13D4, Fab Heavy Chain, Fab Light Chain
著者Li, S, Li, T.
登録日2018-06-06
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
6DZY
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BU of 6dzy by Molmil
Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6DZV
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BU of 6dzv by Molmil
Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6DZZ
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BU of 6dzz by Molmil
Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Yang, D, Coleman, J.A, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6DZW
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BU of 6dzw by Molmil
Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv
分子名称: 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
7WW2
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BU of 7ww2 by Molmil
Structure of an Isocytosine specific deaminase Vcz
分子名称: 8-oxoguanine deaminase, ZINC ION
著者Li, X.J, Wu, B.X.
登録日2022-02-12
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
分子名称: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2015-03-03
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
3SE9
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BU of 3se9 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-PG04 in complex with HIV-1 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
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, Spike glycoprotein
著者Xu, J, Song, Y, Li, S.
登録日2022-06-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
3SE8
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BU of 3se8 by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwong, P.D, Zhou, T.
登録日2011-06-10
公開日2011-08-10
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing.
Science, 333, 2011
7YH5
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BU of 7yh5 by Molmil
MazG(Mycobacterium tuberculosis)
分子名称: MAGNESIUM ION, Nucleoside triphosphate pyrophosphohydrolase
著者Li, J, Wang, S.
登録日2022-07-12
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of the housecleaning nucleoside triphosphate pyrophosphohydrolase MazG from Mycobacterium tuberculosis.
Front Microbiol, 14, 2023
8ITA
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BU of 8ita by Molmil
A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin
分子名称: 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE
著者Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J.
登録日2023-03-22
公開日2023-08-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023

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