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6M8T
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BU of 6m8t by Molmil
Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex
分子名称: FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, PHOSPHATE ION
著者Stogios, P.J, Skarina, T, Khusnutidnova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex
To Be Published
7OKL
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BU of 7okl by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 13e
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-05-17
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
8JQ4
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BU of 8jq4 by Molmil
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with L-rhamnose
分子名称: L-rhamnose isomerase, MANGANESE (II) ION, alpha-L-rhamnopyranose, ...
著者Yoshida, H, Yoshihara, A.
登録日2023-06-13
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献X-ray structure and characterization of a probiotic Lactobacillus rhamnosus Probio-M9 L-rhamnose isomerase.
Appl.Microbiol.Biotechnol., 108, 2024
5CMT
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BU of 5cmt by Molmil
Fic protein from Neisseria meningitidis (NmFic) mutant E156R Y183F in dimeric form
分子名称: Adenosine monophosphate-protein transferase NmFic, CHLORIDE ION, GLYCEROL
著者Stanger, F.V, Schirmer, T.
登録日2015-07-17
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FX5
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BU of 5fx5 by Molmil
Novel inhibitors of human rhinovirus 3C protease
分子名称: GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ...
著者Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
登録日2016-02-24
公開日2016-06-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
7OTA
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BU of 7ota by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230
分子名称: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
5TCS
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BU of 5tcs by Molmil
Crystal structure of a Dwarf Ndc80 Tetramer
分子名称: Kinetochore protein NDC80, Kinetochore protein NUF2, Kinetochore protein SPC24, ...
著者Valverde, R, Harrison, S.C.
登録日2016-09-15
公開日2016-11-23
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.8313 Å)
主引用文献Conserved Tetramer Junction in the Kinetochore Ndc80 Complex.
Cell Rep, 17, 2016
5BZ7
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BU of 5bz7 by Molmil
X-ray crystal structure of a continuously hydrogen bonded 14mer DNA lattice.
分子名称: DNA (5'-D(*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*GP*AP*GP*A)-3'), MAGNESIUM ION
著者Saoji, M, Paukstelis, P.J.
登録日2015-06-11
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Sequence-dependent structural changes in a self-assembling DNA oligonucleotide.
Acta Crystallogr.,Sect.D, 71, 2015
6MA3
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BU of 6ma3 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a
分子名称: 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
5BZB
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BU of 5bzb by Molmil
NavMs voltage-gated sodium channel pore and C-terminal domain
分子名称: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2015-06-11
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
分子名称: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
著者Fellner, M.
登録日2023-07-12
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
To Be Published
6MAC
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BU of 6mac by Molmil
Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ...
著者Goebel, E.J, Thompson, T.B.
登録日2018-08-27
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
5G0J
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BU of 5g0j by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A
分子名称: CHLORIDE ION, HDAC6, NEXTURASTAT A, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0U
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BU of 5g0u by Molmil
InhA in complex with a DNA encoded library hit
分子名称: 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Read, J.A, Breed, J.
登録日2016-03-22
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
7MP8
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BU of 7mp8 by Molmil
Crystal structure of the cytosolic domain of Tribolium castaneum PINK1 in the non-phosphorylated state
分子名称: SULFATE ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
著者Rasool, S, Veyron, S, Trempe, J.F.
登録日2021-05-04
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex.
Mol.Cell, 82, 2022
5FQA
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BU of 5fqa by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ...
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2015-12-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
分子名称: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
登録日2018-08-27
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
8TMW
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BU of 8tmw by Molmil
HTLV-1 capsid protein N-terminal domain triclinic crystal form with sulphate ion
分子名称: SULFATE ION, capsid protein p24
著者Yu, R.J, Li, N, Jacques, D.A.
登録日2023-07-31
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献HTLV-1 capsid protein N-terminal domain triclinic crystal form with sulphate ion
To Be Published
5FRM
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BU of 5frm by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ...
著者Maskell, D.P, Pye, V.E, Cherepanov, P.
登録日2015-12-18
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
8JNU
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BU of 8jnu by Molmil
Crystal structure of V30G mutated human transthyretin
分子名称: MAGNESIUM ION, Transthyretin
著者Mizuguchi, M, Yamada, S, Obita, T.
登録日2023-06-06
公開日2024-04-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Trypsin-induced aggregation of transthyretin Valine 30 variants associated with hereditary amyloidosis.
Febs J., 291, 2024
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
7MPY
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BU of 7mpy by Molmil
Crystal structure of cytosolic HPPK-DHPS from A.thaliana
分子名称: Folate synthesis bifunctional protein
著者Vadlamani, G, Bond, C.S.
登録日2021-05-05
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Arabidopsis thaliana HPPK/DHPS, a bifunctional enzyme and target of the herbicide asulam.
Plant Commun., 3, 2022
8U1I
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BU of 8u1i by Molmil
Crystal structure of SyoA bound to 4-methylsyringol
分子名称: 2,6-dimethoxy-4-methylphenol, Cytochrome P450, NITRATE ION, ...
著者Harlington, A.C, Shearwin, K.E, Bell, S.G, Whelan, F.
登録日2023-09-01
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structural insights into the S-lignin O-demethylase SyoA
To Be Published
5C12
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BU of 5c12 by Molmil
Nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6
分子名称: Gene 2 protein, MAGNESIUM ION
著者Zhao, H, Tang, L.
登録日2015-06-12
公開日2015-10-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.517 Å)
主引用文献Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
6MBI
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BU of 6mbi by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation form 2
分子名称: Sorting nexin-15
著者Chandra, M, Collins, B.M.
登録日2018-08-29
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.834 Å)
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019

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件を2024-10-30に公開中

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