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6JZ5
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BU of 6jz5 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with D-glucuronic acid
分子名称: Beta-glucuronidase, beta-D-glucopyranuronic acid
著者Dashnyam, P, Lin, H.Y.
登録日2019-04-30
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
4MOI
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BU of 4moi by Molmil
Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose
分子名称: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
著者Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
登録日2013-09-12
公開日2014-02-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
3IJU
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BU of 3iju by Molmil
Chicken egg white lysozyme by highly ordered APA (Anodic Porous Alumina) nanotemplate crystallization method
分子名称: Lysozyme C
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2009-08-05
公開日2010-08-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparison of lysozyme crystals grown by APA and classical hanging drop method
To be Published
4JWS
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BU of 4jws by Molmil
Crystal structure of Cytochrome P450cam-putidaredoxin complex
分子名称: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, Camphor 5-monooxygenase, ...
著者Tripathi, S.M, Li, H, Poulos, T.L.
登録日2013-03-27
公開日2013-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for effector control and redox partner recognition in cytochrome P450.
Science, 340, 2013
4MP6
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BU of 4mp6 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnB bound to citrate and NAD+
分子名称: CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase
著者Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P.
登録日2013-09-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
4MOR
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BU of 4mor by Molmil
Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated galactose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
登録日2013-09-12
公開日2014-02-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
7FCU
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BU of 7fcu by Molmil
X-ray structure of D2O-solvent lysozyme
分子名称: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
著者Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
登録日2021-07-15
公開日2022-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
3DVA
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BU of 3dva by Molmil
Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex
分子名称: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ...
著者Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F.
登録日2008-07-18
公開日2009-01-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex
Structure, 16, 2008
6K13
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BU of 6k13 by Molmil
Crystal Structure Basis for BmLDH Complex
分子名称: L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
著者Long, Y, Shen, Z.
登録日2019-05-09
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
6JZ8
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BU of 6jz8 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro 1,5-lactone
分子名称: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, Beta-glucuronidase
著者Dashnyam, P, Lin, H.Y.
登録日2019-04-30
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
5WVP
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BU of 5wvp by Molmil
Expression, characterization and crystal structure of a novel beta-glucosidase from Paenibacillus barengoltzii
分子名称: Beta-glucosidase, beta-D-mannopyranose
著者Jiang, Z, Wu, S, Yang, D, Qin, Z, You, X, Huang, P.
登録日2016-12-28
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Expression, characterization and crystal structure of a novel beta-glucosidase from Paenibacillus barengoltzii
To Be Published
4BO4
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BU of 4bo4 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4J6B
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BU of 4j6b by Molmil
The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, Cytochrome P450 monooxygenase, FORMIC ACID, ...
著者Herzog, K, Hoffmann, K.M.
登録日2013-02-11
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
5WZP
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BU of 5wzp by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - ligand free
分子名称: Alpha-N-acetylgalactosaminidase, CALCIUM ION, ZINC ION
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
4MUR
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BU of 4mur by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
6K32
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BU of 6k32 by Molmil
RdRp complex
分子名称: 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ...
著者Li, X.W.
登録日2019-05-16
公開日2019-11-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
J.Mol.Biol., 432, 2020
4JFU
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BU of 4jfu by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor
分子名称: (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
3DH9
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BU of 3dh9 by Molmil
Crystal Structure of Drosophila Thioredoxin Reductase, wild-type
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 1
著者Eckenroth, B.E, Hondal, R.J, Everse, S.J.
登録日2008-06-17
公開日2009-06-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Drosophila Thioredoxin Reductase, wild-type
To be Published
4BO9
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BU of 4bo9 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy) phenyl)-2-phenyltetrazole at 2.9A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
3INM
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BU of 3inm by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+)
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ...
著者Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B.
登録日2009-08-12
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.
Nature, 462, 2009
2FOT
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BU of 2fot by Molmil
Crystal structure of the complex between calmodulin and alphaII-spectrin
分子名称: CALCIUM ION, Calmodulin, alpha-II spectrin Spectrin
著者Simonovic, M, Zhang, Z, Cianci, C.D, Steitz, T.A, Morrow, J.S.
登録日2006-01-13
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the calmodulin alphaII-spectrin complex provides insight into the regulation of cell plasticity.
J.Biol.Chem., 281, 2006
4BNU
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BU of 4bnu by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0A resolution
分子名称: 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
5WZQ
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BU of 5wzq by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - quadruple mutant
分子名称: Alpha-N-acetylgalactosaminidase, GLYCEROL, ZINC ION
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
7QBQ
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BU of 7qbq by Molmil
Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2021-11-19
公開日2022-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
6K8G
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BU of 6k8g by Molmil
H/D exchanged Hen egg-white lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kita, A, Morimoto, Y.
登録日2019-06-11
公開日2020-06-17
最終更新日2024-11-20
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state.
J.Appl.Crystallogr., 53, 2020

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