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5JPM
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BU of 5jpm by Molmil
Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF
分子名称: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
4YEK
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BU of 4yek by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
著者Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2015-02-24
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
5ZCM
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BU of 5zcm by Molmil
Crystal structure of Xylose reductase from Debaryomyces nepalensis in complex with NADP-DTT adduct
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Manoj, N.
登録日2018-02-19
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 285, 2018
8GW5
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BU of 8gw5 by Molmil
Crystal structure of SaSsbA complexed with glycerol
分子名称: GLYCEROL, Single-stranded DNA-binding protein
著者Yang, P.C, Huang, H.Y, Huang, C.Y.
登録日2022-09-16
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
分子名称: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
著者Mabanglo, M.F, Raushel, F.M.
登録日2018-06-29
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RG1
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BU of 6rg1 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
5M4Z
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BU of 5m4z by Molmil
Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate
分子名称: GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
著者Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W.
登録日2016-10-19
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.179 Å)
主引用文献Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R, Picard, M.-E, Manenda, M.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6TPP
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BU of 6tpp by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6RGR
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BU of 6rgr by Molmil
Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGJ
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BU of 6rgj by Molmil
Photorhabdus asymbiotica lectin PHL in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R, Picard, M.-E, Manenda, M.S.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6L0K
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BU of 6l0k by Molmil
Crystal structure of dihydroorotase in complex with malate at pH9 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6L0H
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BU of 6l0h by Molmil
Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6OEI
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BU of 6oei by Molmil
Yeast Spc42 N-terminal coiled-coil fused to PDB: 3K2N
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Spindle pole body component SPC42,Sigma-54-dependent transcriptional regulator
著者Drennan, A.C, Krishna, S, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jaspersen, S.L, Rayment, I.
登録日2019-03-27
公開日2019-04-24
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication.
Mol.Biol.Cell, 30, 2019
6L0B
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BU of 6l0b by Molmil
Crystal structure of dihydroorotase in complex with fluorouracil from Saccharomyces cerevisiae
分子名称: 5-FLUOROURACIL, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6OBD
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BU of 6obd by Molmil
Crystal structure of anti-GLD52 Fab complex with human GLD52 peptide mimetic
分子名称: GLD52 peptide mimetic, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, ZINC ION, ...
著者Wei, R.
登録日2019-03-20
公開日2019-07-03
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineering an anti-CD52 antibody for enhanced deamidation stability.
Mabs, 11, 2019
6L0G
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BU of 6l0g by Molmil
Crystal structure of dihydroorotase in complex with malate at pH6 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
4WKF
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BU of 4wkf by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
6XP4
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BU of 6xp4 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293
分子名称: Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-07
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021

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