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9JN3
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BU of 9jn3 by Molmil
Crystal structure of AvpGT in complex with Ara-A
分子名称: 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, GalNAc(5)-diNAcBac-PP-undecaprenol beta-1,3-glucosyltransferase, MAGNESIUM ION, ...
著者Li, J.H, Wang, Z.Q, Zhang, Z.Y, Chen, W.Q.
登録日2024-09-22
公開日2025-01-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Efficient Synthesis of Glycodiversified Nucleoside Analogues by a Thermophilic Promiscuous Glycosyltransferase
Acs Catalysis, 15, 2025
9JMA
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BU of 9jma by Molmil
Crystal structure of glycosyltransferase AvpGT
分子名称: GalNAc(5)-diNAcBac-PP-undecaprenol beta-1,3-glucosyltransferase, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE
著者Li, J.H, Wang, Z.Q, Zhang, Z.Y, Chen, W.Q.
登録日2024-09-20
公開日2025-01-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficient Synthesis of Glycodiversified Nucleoside Analogues by a Thermophilic Promiscuous Glycosyltransferase
Acs Catalysis, 15, 2025
1TUM
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BU of 1tum by Molmil
MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX, NMR, 16 STRUCTURES
分子名称: COBALT TETRAAMMINE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lin, J, Abeygunawardana, C, Frick, D.N, Bessman, M.J, Mildvan, A.S.
登録日1996-12-05
公開日1997-05-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the quaternary MutT-M2+-AMPCPP-M2+ complex and mechanism of its pyrophosphohydrolase action.
Biochemistry, 36, 1997
1BTO
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BU of 1bto by Molmil
HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3R)3-BUTYLTHIOLANE 1-OXIDE
分子名称: 3-BUTYLTHIOLANE 1-OXIDE, LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Ramaswamy, S, Plapp, B.V.
登録日1996-11-08
公開日1997-04-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flexibility of liver alcohol dehydrogenase in stereoselective binding of 3-butylthiolane 1-oxides.
Biochemistry, 36, 1997
2Y8C
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BU of 2y8c by Molmil
Plasmodium falciparum dUTPase in complex with a trityl ligand
分子名称: (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION
著者Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H.
登録日2011-02-04
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase
Bioorg.Med.Chem., 19, 2011
6TOE
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BU of 6toe by Molmil
Imine Reductase from Myxococcus stipitatus V8 variant in complex with NAD+
分子名称: Coenzyme F420-dependent NADP oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Nestl, B, Grogan, G.
登録日2019-12-11
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
6TO4
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BU of 6to4 by Molmil
Imine Reductase from Myxococcus stipitatus in complex with NADP+
分子名称: Coenzyme F420-dependent NADP oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sharma, M, Nestl, B, Grogan, G.
登録日2019-12-11
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
2YHE
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BU of 2yhe by Molmil
Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp.
分子名称: SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION
著者Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G.
登録日2011-04-29
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
6TR8
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BU of 6tr8 by Molmil
Corynebacterium diphtheriae methionine sulfoxide reductase B (MsrB) solution structure - reduced form
分子名称: Peptide-methionine (R)-S-oxide reductase, ZINC ION
著者Volkov, A.N, Tossounian, M.A, Buts, L, Messens, J.
登録日2019-12-18
公開日2020-02-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Methionine sulfoxide reductase B fromCorynebacterium diphtheriaecatalyzes sulfoxide reduction via an intramolecular disulfide cascade.
J.Biol.Chem., 295, 2020
7UJN
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BU of 7ujn by Molmil
Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog
分子名称: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
著者Huynh, K.W, Ammirati, M, Han, S.
登録日2022-03-31
公開日2022-07-20
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
3BCS
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BU of 3bcs by Molmil
Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) uracil
分子名称: 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-13
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BDA
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BU of 3bda by Molmil
Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) cyanuric acid
分子名称: 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione, Glycogen phosphorylase, muscle form
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-14
公開日2008-11-18
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BCU
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BU of 3bcu by Molmil
Glucogen Phosphorylase complex with thymidine
分子名称: Glycogen phosphorylase, muscle form, THYMIDINE
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-13
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BD6
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BU of 3bd6 by Molmil
Glycogen Phosphorylase complex with 1(-D-ribofuranosyl) cyanuric acid
分子名称: 1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione, Glycogen phosphorylase, muscle form
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-14
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BD7
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BU of 3bd7 by Molmil
Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) thymine
分子名称: 1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form, ...
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-14
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BD8
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BU of 3bd8 by Molmil
Glucogen Phosphorylase complex with 1(-D-glucopyranosyl) cytosine
分子名称: 4-amino-1-beta-D-glucopyranosylpyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form, ...
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-14
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
3BCR
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BU of 3bcr by Molmil
Glycogen Phosphorylase b in complex with AZT
分子名称: 3'-azido-3'-deoxythymidine, Glycogen phosphorylase, muscle form
著者Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G.
登録日2007-11-13
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b
To be Published
8GMP
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BU of 8gmp by Molmil
Cryo-EM structure of octameric human CALHM1 with a I109W point mutation
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
8GMQ
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BU of 8gmq by Molmil
Chicken CALHM1 purified from mammalian cells
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator 1
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
8GMR
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BU of 8gmr by Molmil
Cryo-EM structure of octameric human CALHM1
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
1VYQ
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BU of 1vyq by Molmil
Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design
分子名称: 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE
著者Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S.
登録日2004-05-05
公開日2005-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors.
Structure, 13, 2005
8S90
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BU of 8s90 by Molmil
Cryo-EM structure of octameric human CALHM1 (I109W) in complex with ruthenium red (C1)
分子名称: Calcium homeostasis modulator protein 1, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.73 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
8S8Z
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BU of 8s8z by Molmil
Cryo-EM structure of octameric human CALHM1 (I109W) in complex with ruthenium red
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calcium homeostasis modulator protein 1, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
著者Syrjanen, J.L, Furukawa, H.
登録日2023-03-27
公開日2023-07-26
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structure of human CALHM1 reveals key locations for channel regulation and blockade by ruthenium red.
Nat Commun, 14, 2023
7T7S
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BU of 7t7s by Molmil
R-27 in Complex with S. aureus DHFR and tricyclic-NADPH (tNADPH)
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ...
著者Reeve, S.M, Wang, S, Donald, B.R, Wright, D.L.
登録日2021-12-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
Plos Comput.Biol., 18, 2022
7T7Q
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R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, Dihydrofolate reductase, ...
著者Reeve, S.M, Wang, S, Donald, B.R, Wright, D.L.
登録日2021-12-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
Plos Comput.Biol., 18, 2022

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件を2025-07-16に公開中

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