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8TAP
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BU of 8tap by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6)
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2023-06-27
公開日2023-12-20
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
6NCS
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BU of 6ncs by Molmil
Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
分子名称: ACETATE ION, CITRIC ACID, D(-)-TARTARIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-12
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
to be published
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
分子名称: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YQ0
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BU of 6yq0 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
分子名称: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
著者Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
登録日2020-04-16
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
8G4J
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BU of 8g4j by Molmil
Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
分子名称: Importin subunit alpha
著者Hawker, J.E, Roby, J.A, Stewart, M, Forwood, J.K.
登録日2023-02-09
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state
To Be Published
8TAJ
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BU of 8taj by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6)
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2023-06-27
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TC6
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BU of 8tc6 by Molmil
Sequence specific (AATT and TGTCA) orientation of netropsin and ImPyPy molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5)
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C*(NT))-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2023-06-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
6YRP
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BU of 6yrp by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-04-20
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
8G0V
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BU of 8g0v by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8G0T
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BU of 8g0t by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8TBO
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BU of 8tbo by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5)
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2023-06-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TB3
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BU of 8tb3 by Molmil
Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5)
分子名称: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2023-06-28
公開日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8G0U
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BU of 8g0u by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YRQ
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BU of 6yrq by Molmil
Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 4.6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 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Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-04-20
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
6Q23
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BU of 6q23 by Molmil
Crystal structure of human 1G01 Fab in complex with influenza virus neuraminidase from A/California/04/2009 (H1N1)
分子名称: 1G01 Fab IgG1 heavy chain, 1G01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-08-06
公開日2019-10-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6Q3C
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BU of 6q3c by Molmil
CDK2 in complex with FragLite1
分子名称: 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-04
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6YHR
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BU of 6yhr by Molmil
Crystal structure of Werner syndrome helicase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION
著者Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-03-30
公開日2020-04-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
6NQ1
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BU of 6nq1 by Molmil
Cryo-EM structure of human TPC2 channel in the apo state
分子名称: Two pore calcium channel protein 2
著者She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y.
登録日2019-01-18
公開日2019-03-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
8GBC
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BU of 8gbc by Molmil
Homo sapiens Zalpha mutant - N173S
分子名称: Double-stranded RNA-specific adenosine deaminase
著者Langeberg, C.J, Nichols, P.J, Henen, M, Vicens, Q, Vogeli, B.
登録日2023-02-25
公開日2023-03-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Differential Structural Features of Two Mutant ADAR1p150 Z alpha Domains Associated with Aicardi-Goutieres Syndrome.
J.Mol.Biol., 435, 2023
6NS8
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BU of 6ns8 by Molmil
RDC-refined SOLUTION NMR STRUCTURE OF PROTEIN PF2048.1
分子名称: Uncharacterized protein
著者Daigham, N.S, Liu, G, Swapna, G.V.T, Cole, C, Valafar, H, Montelione, G.T.
登録日2019-01-24
公開日2020-01-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs
To Be Published
6NT3
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BU of 6nt3 by Molmil
Cryo-EM structure of a human-cockroach hybrid Nav channel.
分子名称: (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Clairfeuille, T, Rohou, A, Payandeh, J.
登録日2019-01-28
公開日2019-02-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures of a human-cockroach hybrid Nav channel in the presence and absence of the alpha-scorpion toxin AaH2.
Science, 2019
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
分子名称: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorman, J, Kwong, P.D.
登録日2018-12-18
公開日2019-07-24
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
8FIC
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BU of 8fic by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
7RSO
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BU of 7rso by Molmil
AMC016 SOSIP.v4.2 in complex with PGV04 Fab
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, AMC016 gp120, ...
著者Bader, D.L.V, Cottrell, C.A, Ward, A.B.
登録日2021-08-11
公開日2021-09-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022

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件を2024-11-06に公開中

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