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7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Bose, S, Steussy, C.N.
登録日2021-03-25
公開日2022-09-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
6NUF
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BU of 6nuf by Molmil
Structure of Calcineurin in complex with NHE1 peptide
分子名称: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
著者Wang, X, Page, R, Peti, W.
登録日2019-01-31
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
6Q8N
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BU of 6q8n by Molmil
GH10 endo-xylanase in complex with xylobiose epoxide inhibitor
分子名称: (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E.
登録日2018-12-15
公開日2019-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
8ZJ7
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BU of 8zj7 by Molmil
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate and NAD.
分子名称: 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, CHLORIDE ION, ...
著者Kumar, K.A, Pahwa, D, Kumar, P.
登録日2024-05-14
公開日2024-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate and NAD.
To Be Published
8ZJ0
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BU of 8zj0 by Molmil
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate.
分子名称: 3-HYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, CHLORIDE ION, ...
著者Kumar, K.A, Pahwa, D, Kumar, P.
登録日2024-05-14
公開日2024-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate.
To Be Published
8ZJ5
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BU of 8zj5 by Molmil
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
分子名称: 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
著者Kumar, K.A, Pahwa, D, Kumar, P.
登録日2024-05-14
公開日2024-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
To Be Published
8RNN
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BU of 8rnn by Molmil
Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with prednisone
分子名称: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Fernandez-Garcia, A, Sanz-Aparicio, J.
登録日2024-01-10
公開日2024-10-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Insights and Reaction Profile of a New Unspecific Peroxygenase from Marasmius wettsteinii Produced in a Tandem-Yeast Expression System.
Acs Chem.Biol., 19, 2024
8ERP
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BU of 8erp by Molmil
Structure of Xenopus cholinephosphotransferase1 in complex with CDP-choline
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Cholinephosphotransferase 1, MAGNESIUM ION, ...
著者Wang, L, Zhou, M.
登録日2022-10-12
公開日2023-04-26
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
8ERO
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BU of 8ero by Molmil
Structure of Xenopus cholinephosphotransferase1 in complex with CDP
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CYTIDINE-5'-DIPHOSPHATE, Cholinephosphotransferase 1, ...
著者Wang, L, Zhou, M.
登録日2022-10-12
公開日2023-04-26
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
8HRR
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BU of 8hrr by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Corynebacterium glutamicum ATCC13032 (L36S/T37K/F100V) in complex with NADP
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Son, H.F, Kim, K.J.
登録日2022-12-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
J.Agric.Food Chem., 71, 2023
6QRT
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BU of 6qrt by Molmil
X-ray radiation dose series on xylose isomerase - 1.38 MGy
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
8G41
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BU of 8g41 by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Plapp, B.V.
登録日2023-02-08
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
1LVJ
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BU of 1lvj by Molmil
STRUCTURE OF TAR RNA COMPLEXED WITH A TAT-TAR INTERACTION NANOMOLAR INHIBITOR THAT WAS IDENTIFIED BY COMPUTATIONAL SCREENING
分子名称: 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE, HIV-1 Trans Activating Region RNA
著者Du, Z, Lind, K.E, James, T.L.
登録日2002-05-28
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of TAR RNA complexed with a Tat-TAR interaction nanomolar inhibitor that was identified by computational screening
CHEM.BIOL., 9, 2002
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
分子名称: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Kack, H, Ek, M.
登録日2019-03-28
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
6OJM
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BU of 6ojm by Molmil
Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase Elizabethkingia anophelis NUHP1
分子名称: 1,4-dihydroxy-2-naphthoyl-CoA synthase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-04-11
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase Elizabethkingia anophelis NUHP1
TO BE PUBLISHED
6OB7
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BU of 6ob7 by Molmil
Human equilibrative nucleoside transporter-1, dilazep bound
分子名称: (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Equilibrative nucleoside transporter 1
著者Wright, N.J, Lee, S.-Y.
登録日2019-03-19
公開日2019-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human ENT1 in complex with adenosine reuptake inhibitors.
Nat.Struct.Mol.Biol., 26, 2019
5Y52
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BU of 5y52 by Molmil
Crystal Structure of Highly Active BTUO Mutant P287G Improved by Humidity Control at 83% RH
分子名称: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Itoh, T, Kishimoto, T, Nishiya, Y.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Conformational Flexibility of Plastic Interface Loop Allows Entropic Adaptation of Urate Oxidase to Environmental pH
To Be Published
4XP7
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BU of 4xp7 by Molmil
Crystal structure of Human tRNA dihydrouridine synthase 2
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
著者Whelan, F, Jenkins, H.T, Griffiths, S, Byrne, R.T, Dodson, E.J, Antson, A.A.
登録日2015-01-16
公開日2015-01-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From bacterial to human dihydrouridine synthase: automated structure determination.
Acta Crystallogr.,Sect.D, 71, 2015
6YND
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BU of 6ynd by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 1 of 4.
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.525 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
8G39
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BU of 8g39 by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH and N-cyclohexylformamide
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2023-02-07
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
7NA0
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BU of 7na0 by Molmil
Structure of Geobacter sulfurreducens proline utilization A (PutA) variant A206W
分子名称: 1,2-ETHANEDIOL, Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tanner, J.J, Korasick, D.A.
登録日2021-06-19
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the function of a ligand-modulated dynamic tunnel in bifunctional proline utilization A (PutA).
Arch.Biochem.Biophys., 712, 2021
8G9D
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BU of 8g9d by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1
著者Zong, G, Wang, H, Shears, S.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
6RP1
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BU of 6rp1 by Molmil
1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-05-13
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6RKG
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BU of 6rkg by Molmil
1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-04-30
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6RTM
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BU of 6rtm by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking
分子名称: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
著者Angelucci, F, Silvestri, I, Fata, F, Williams, D.L.
登録日2019-05-24
公開日2020-01-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020

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件を2025-10-15に公開中

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