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5LZJ
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BU of 5lzj by Molmil
Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
分子名称: (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ...
著者Heggelund, J.E, Krengel, U.
登録日2016-09-29
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
5LTS
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BU of 5lts by Molmil
Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease Mutant D118A
分子名称: CHLORIDE ION, GLYCEROL, RNA-directed RNA polymerase L, ...
著者Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F.
登録日2016-09-07
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
IUCrJ, 5, 2018
5LTY
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BU of 5lty by Molmil
Homeobox transcription factor CDX2 bound to methylated DNA
分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
著者Morgunova, E, Popov, A, Taipale, J.
登録日2016-09-07
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
7BOA
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BU of 7boa by Molmil
A hexameric de novo coiled-coil assembly: CC-Type2-(YaFd)4-W19(BrPhe).
分子名称: CC-Type2-(YaFd)4-W19(BrPhe)
著者Rhys, G.G, Martin, F.J.O, Brady, R.L, Woolfson, D.N.
登録日2021-01-24
公開日2021-05-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献How Coiled-Coil Assemblies Accommodate Multiple Aromatic Residues.
Biomacromolecules, 22, 2021
5LU8
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BU of 5lu8 by Molmil
CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
分子名称: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
著者Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
登録日2020-12-18
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
5LUC
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BU of 5luc by Molmil
Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.8 Angstrom; internal aldimine with PLP in the active site
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Giardina, G, Cutruzzola, F, Cellini, B, Borri Voltattorni, C, Montioli, R.
登録日2016-09-08
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
6UFQ
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BU of 6ufq by Molmil
Crystal structure of D678N GoxA bound to glycine
分子名称: GLYCINE, Glycine Oxidase GoxA, MAGNESIUM ION
著者Yukl, E.T.
登録日2019-09-24
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
J.Biol.Chem., 294, 2019
5LVJ
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BU of 5lvj by Molmil
Hen Egg White Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Kurpiewska, K, Halajko, P, Lewinski, K.
登録日2016-09-14
公開日2016-09-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
分子名称: Main Protease
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
6UFI
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BU of 6ufi by Molmil
W96Y Oxalate Decarboxylase (Bacillus subtilis)
分子名称: CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ...
著者Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
登録日2019-09-24
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
5LWV
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BU of 5lwv by Molmil
Human OGT in complex with UDP and fused substrate peptide (HCF1)
分子名称: GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ...
著者Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D.
登録日2016-09-19
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
6UFT
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BU of 6uft by Molmil
Crystal structure of BoNT/B receptor-binding domain in complex with VHH JLK-G12
分子名称: Botulinum neurotoxin type B, JLK-G12, SULFATE ION
著者Lam, K, Jin, R.
登録日2019-09-25
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9000814 Å)
主引用文献Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Cell Rep, 30, 2020
6RUU
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BU of 6ruu by Molmil
Pseudokinase domain of human IRAK3
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 3, MERCURY (II) ION, ...
著者Lange, S.M, Kulathu, Y, Cohen, P.
登録日2019-05-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dimeric Structure of the Pseudokinase IRAK3 Suggests an Allosteric Mechanism for Negative Regulation.
Structure, 29, 2021
5LXN
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BU of 5lxn by Molmil
Coiled-coil protein
分子名称: SULFATE ION, TRIETHYLENE GLYCOL, Transforming acidic coiled-coil-containing protein 3
著者Thiyagarajan, N, Bunney, T.D, Katan, M.
登録日2016-09-22
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Coiled-coil protein
To Be Published
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
5LYN
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BU of 5lyn by Molmil
Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment
分子名称: PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION
著者Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L.
登録日2016-09-28
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
6RVM
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BU of 6rvm by Molmil
Cell division protein FtsZ from Staphylococcus aureus, apo form
分子名称: CHLORIDE ION, Cell division protein FtsZ, GLYCEROL, ...
著者Fernandez-Tornero, C, Andreu, J.M, Canosa-Valls, A.J.
登録日2019-05-31
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Febs J., 287, 2020
6RW3
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BU of 6rw3 by Molmil
The molecular basis for sugar import in malaria parasites.
分子名称: Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose
著者Qureshi, A, Matsuoka, R, Brock, J, Drew, D.
登録日2019-06-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
6RGA
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BU of 6rga by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RGB
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BU of 6rgb by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
7BJL
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BU of 7bjl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142
分子名称: 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6RWU
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BU of 6rwu by Molmil
Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-06
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RX3
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BU of 6rx3 by Molmil
Crystal structure of human syncytin 2 in post-fusion conformation
分子名称: CHLORIDE ION, Syncytin-2
著者Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A.
登録日2019-06-07
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019

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件を2024-08-28に公開中

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