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8Z73
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BU of 8z73 by Molmil
Crystal Structure of AF9 in complex with H3K9la peptide
分子名称: 1,2-ETHANEDIOL, Histone H3.3C, Protein AF-9
著者Li, H.T, Ma, H.D.
登録日2024-04-19
公開日2025-04-23
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献Crystal Structure of AF9 in complex with H3K9la peptide
To be published
6MXV
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BU of 6mxv by Molmil
The crystal structure of a rhodanese-like family protein from Francisella tularensis subsp. tularensis SCHU S4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ...
著者Tan, K, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-31
公開日2018-11-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The crystal structure of a rhodanese-like family protein from Francisella tularensis subsp. tularensis SCHU S4
To Be Published
4XBB
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BU of 4xbb by Molmil
1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
分子名称: 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
登録日2014-12-16
公開日2015-03-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
8TMZ
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BU of 8tmz by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with neutralizing antibody CHM-27
分子名称: 1,2-ETHANEDIOL, Neutralizing antibody CHM-27 Heavy Chain, Neutralizing antibody CHM-27 Light Chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-07-31
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Broad Neutralizing Antibodies Against Coronaviruses.
Not published
6OEW
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BU of 6oew by Molmil
Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylyltransferase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-27
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
to be published
7Q7Z
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BU of 7q7z by Molmil
Crystal structure of the methyltransferase-ribozyme 1 (with 1-benzylamine-adenosine)
分子名称: GUANINE, MAGNESIUM ION, RNA 1, ...
著者Mieczkowski, M, Hoebartner, C.
登録日2021-11-09
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022
8ZV9
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BU of 8zv9 by Molmil
Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
著者Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
登録日2024-06-11
公開日2024-08-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
5L9G
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BU of 5l9g by Molmil
Crystal Structure of the PBP MotA in complex with mannopine from A. tumefaciens B6
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, mannopine, ...
著者Marty, L, Morera, S.
登録日2016-06-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
9G4Q
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BU of 9g4q by Molmil
Crystal structure of the salivarius-1 RNA motif
分子名称: MAGNESIUM ION, POTASSIUM ION, RNA (52-MER)
著者Huang, L, Lilley, D.M.J.
登録日2024-07-16
公開日2025-07-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis for tRNA-mimicking by salivarius-1 RNA motif
To Be Published
7CHR
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BU of 7chr by Molmil
AcrIF9
分子名称: anti-CRISPR AcrIF9
著者Kim, G.E, Park, H.H.
登録日2020-07-06
公開日2020-12-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献A high-resolution (1.2 angstrom ) crystal structure of the anti-CRISPR protein AcrIF9.
Febs Open Bio, 10, 2020
6PBV
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BU of 6pbv by Molmil
Crystal structure of Fab668 complex
分子名称: 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ...
著者Oyen, D, Wilson, I.A.
登録日2019-06-14
公開日2020-03-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.566 Å)
主引用文献Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
9NTK
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BU of 9ntk by Molmil
Chimeric Adenosine deaminase growth factor (ADGF) in complex with pentostatin monophosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Adenosine deaminase AGSA,Adenosine deaminase AGSA,Chimeric Adenosine deaminase growth factor, ...
著者Kaur, G, Horton, J.R, Cheng, X.
登録日2025-03-18
公開日2025-06-18
最終更新日2025-07-23
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis for the substrate specificity of Helix pomatia AMP deaminase and a chimeric ADGF adenosine deaminase.
J.Biol.Chem., 301, 2025
6MYI
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BU of 6myi by Molmil
Pleurotus ostreatus OstreolysinA
分子名称: 1,2-ETHANEDIOL, Ostreolysin A6, SODIUM ION
著者Tomchick, D.R, Radhakrishnan, A, Endapally, S.
登録日2018-11-01
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes.
Cell, 176, 2019
8YFL
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BU of 8yfl by Molmil
crystal structure of FIP200 claw/TNIP1_FIR_pS122pS123
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, RB1-inducible coiled-coil protein 1, ...
著者Lv, M.Q, Wu, S.M.
登録日2024-02-24
公開日2024-08-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
9QAP
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BU of 9qap by Molmil
Human angiotensin-1 converting enzyme C-domain in complex with quinaprilat
分子名称: 1,2-ETHANEDIOL, Angiotensin-converting enzyme, soluble form, ...
著者Gregory, K.S, Acharya, K.R.
登録日2025-02-28
公開日2025-09-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis of domain-specific angiotensin I-converting enzyme inhibition by the antihypertensive drugs enalaprilat, ramiprilat, trandolaprilat, quinaprilat and perindoprilat.
Febs J., 2025
8YHZ
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BU of 8yhz by Molmil
The co-crystal structure of the Fab fragment of Ab-1080 with NaV1.7 VSDII peptide
分子名称: Heavy chain of 1080 Fab, Light chain of 1080 Fab, Sodium channel protein type 9 subunit alpha
著者Du, J, Zhang, Y, Zhu, R, Ding, Y.
登録日2024-02-28
公開日2024-10-23
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Intra-channel bi-epitopic crosslinking unleashes ultrapotent antibodies targeting Na V 1.7 for pain alleviation.
Cell Rep Med, 5, 2024
6NOE
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BU of 6noe by Molmil
Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:I63D Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.97 Angstrom Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Ghanbarpour, A, Geiger, J.
登録日2019-01-16
公開日2019-01-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:I63D Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.97 Angstrom Resolution
To Be Published
6NOH
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BU of 6noh by Molmil
Crystal structure of FBF-2 repeat 5 mutant (C363S, R364Y, Q367S) in complex with 8-nt RNA
分子名称: 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3')
著者McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T.
登録日2019-01-16
公開日2019-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
6NE2
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BU of 6ne2 by Molmil
Designed repeat protein in complex with Fz7
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Miao, Y, Jude, K.M, Garcia, K.C.
登録日2018-12-15
公開日2019-05-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6VLX
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BU of 6vlx by Molmil
Crystal structure of FabI from Alistipes finegoldii
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL
著者Radka, C.D, Seetharaman, J, Rock, C.O.
登録日2020-01-27
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
6NHU
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BU of 6nhu by Molmil
Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
著者Kim, Y, Welk, L, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-23
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
To Be Published
8CMS
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BU of 8cms by Molmil
OTUB2 in covalent complex with LN5P45
分子名称: (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide, Ubiquitin thioesterase OTUB2
著者Gan, J, de Vries, J.
登録日2023-02-21
公開日2023-11-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2.
Acs Chem.Biol., 18, 2023
6NTR
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BU of 6ntr by Molmil
Crystal Structure of Beta-barrel-like Protein of Domain of Unknown Function DUF1849 from Brucella abortus
分子名称: 1,2-ETHANEDIOL, ATP/GTP-binding site-containing protein A, GLYCEROL
著者Kim, Y, Bigelow, L, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2019-01-30
公開日2019-02-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献BrucellaPeriplasmic Protein EipB Is a Molecular Determinant of Cell Envelope Integrity and Virulence.
J.Bacteriol., 201, 2019
6NNX
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BU of 6nnx by Molmil
Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121M Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.87 Angstrom Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Ghanbarpour, A, Geiger, J.
登録日2019-01-15
公開日2019-01-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121M Mutant of Human Cellular Retionic Acid Binding Protein II in the Dark at 1.87 Angstrom Resolution
To Be Published
6NPM
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BU of 6npm by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
分子名称: 5-(phenylethynyl)pyridine-3-carboxylic acid, Epstein-Barr nuclear antigen 1
著者Messick, T.E.
登録日2019-01-17
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019

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