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6OO6
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BU of 6oo6 by Molmil
Dehaloperoxidase B in complex with substrate p-cresol
分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, P-CRESOL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-04-22
公開日2019-09-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6O50
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BU of 6o50 by Molmil
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, 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2024-10-16
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
分子名称: Choline trimethylamine-lyase, difluorocholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
分子名称: Choline trimethylamine-lyase, cyclopropylcholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CutC choline lyase in complex with fluoromethylcholine
To Be Published
2IBL
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BU of 2ibl by Molmil
Crystal structure of a helper molecule (HT-mf-thromb) based on mini-fibritin (mf) crystal structure (pdb:1OX3).
分子名称: Fibritin
著者Boudko, S.P, Rossmann, M.G.
登録日2006-09-11
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Coiled-coil Domain Structure of the Sin Nombre Virus Nucleocapsid Protein.
J.Mol.Biol., 366, 2007
6ZK0
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BU of 6zk0 by Molmil
1.47A human IMPase with ebselen
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ...
著者Bax, B.D, Fenn, G.D.
登録日2020-06-29
公開日2020-09-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
5MXC
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BU of 5mxc by Molmil
Aleuria aurantia lectin (AAL) N224Q mutant in complex with alpha-methyl-L-fucoside
分子名称: Fucose-specific lectin, GLYCEROL, methyl alpha-L-fucopyranoside
著者Houser, J, Kozmon, S, Romano, P.R, Wimmerova, M.
登録日2017-01-22
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.
PLoS ONE, 12, 2017
7A5U
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BU of 7a5u by Molmil
Structure of E37A BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conserved residues Glu37 and Trp229 play an essential role in protein folding of beta-lactamase.
Febs J., 288, 2021
2W3M
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BU of 2w3m by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-13
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
分子名称: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
著者Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
登録日2024-01-08
公開日2024-07-17
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
分子名称: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
登録日2024-01-08
公開日2024-07-17
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
7Q3V
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BU of 7q3v by Molmil
Re-refined structure of a type III antifreeze protein isoform HPLC 12
分子名称: Type-3 ice-structuring protein HPLC 12
著者Mikhailovskii, O, Xue, Y, Jia, Z, Skrynnikov, N.R.
登録日2021-10-28
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber.
Iucrj, 9, 2022
9GYH
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BU of 9gyh by Molmil
HEW Lysozyme with His 15 functionalized with iodoacetamide
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者da Silva, J.S.P, Delgado, J.M.L, Bruno, F, Calderone, V, Ravera, E.
登録日2024-10-02
公開日2025-02-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.
Acta Crystallogr.,Sect.F, 81, 2025
7AXZ
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BU of 7axz by Molmil
Ku70/80 complex apo form
分子名称: X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Hnizda, A, Tesina, P, Novak, P, Blundell, T.L.
登録日2020-11-10
公開日2021-02-10
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SAP domain forms a flexible part of DNA aperture in Ku70/80.
Febs J., 288, 2021
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
分子名称: (S)-hydroxynitrile lyase
著者Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
登録日2022-10-19
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献to be published
To Be Published
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
著者Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
登録日2020-12-09
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
6ZMM
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BU of 6zmm by Molmil
Crystal structure of human NDRG1
分子名称: CHLORIDE ION, Protein NDRG1
著者Mustonen, V, Kursula, P, Ruskamo, S.
登録日2020-07-03
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal and solution structure of NDRG1, a membrane-binding protein linked to myelination and tumour suppression.
Febs J., 288, 2021
4PCA
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BU of 4pca by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
著者Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-04-14
公開日2014-06-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
4PCL
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BU of 4pcl by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion.
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
著者Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-04-15
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
8VSK
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BU of 8vsk by Molmil
Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol
分子名称: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
著者Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
登録日2024-01-24
公開日2024-07-17
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.515 Å)
主引用文献Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VZR
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BU of 8vzr by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol
分子名称: 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
著者Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
登録日2024-02-12
公開日2024-07-17
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
6XYV
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BU of 6xyv by Molmil
NMR solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
分子名称: IRON/SULFUR CLUSTER, PioC
著者Cantini, F, Trindade, I.
登録日2020-01-31
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
7D1D
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BU of 7d1d by Molmil
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole
分子名称: 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-14
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D2B
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BU of 7d2b by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site
分子名称: Glutaminyl-peptide cyclotransferase, NICKEL (II) ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-16
公開日2021-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D2I
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BU of 7d2i by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site
分子名称: FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION
著者Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
登録日2020-09-16
公開日2021-04-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021

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