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4C90
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BU of 4c90 by Molmil
Evidence that GH115 alpha-glucuronidase activity is dependent on conformational flexibility
分子名称: ALPHA-GLUCURONIDASE GH115, SODIUM ION
著者Rogowski, A, Basle, A, Farinas, C.S, Solovyova, A, Mortimer, J.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
登録日2013-10-02
公開日2013-11-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Evidence that Gh115 Alpha-Glucuronidase Activity is Dependent on Conformational Flexibility
J.Biol.Chem., 289, 2014
6YXC
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BU of 6yxc by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148R variant
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SODIUM ION
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures.
Proteins, 2021
4C1E
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BU of 4c1e by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
6ZHP
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BU of 6zhp by Molmil
Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
分子名称: 2-[2-(2-octoxyethoxy)ethoxy]ethanol, MAGNESIUM ION, Outer membrane porin F, ...
著者Sousa, C.F, Morais-Cabral, J, Gameiro, P.
登録日2020-06-23
公開日2021-05-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
To Be Published
6YV5
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BU of 6yv5 by Molmil
Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus
分子名称: SODIUM ION, Serine protease
著者Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F.
登録日2020-04-27
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus
To Be Published
5HI0
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BU of 5hi0 by Molmil
The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
分子名称: COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ...
著者Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Biochemistry, 55, 2016
6YZH
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BU of 6yzh by Molmil
Crystal structure of P8C9 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, GLYCEROL, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2020-05-07
公開日2021-05-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
3E4V
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BU of 3e4v by Molmil
Crystal structure of NADH:FMN oxidoreductase like protein in complex with FMN (YP_544701.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.40 A resolution
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-08-12
公開日2008-09-02
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of NADH:FMN oxidoreductase like protein in complex with FMN (YP_544701.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.40 A resolution
To be published
2R86
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BU of 2r86 by Molmil
Crystal structure of PurP from Pyrococcus furiosus complexed with ATP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
著者Zhang, Y, White, R.H, Ealick, S.E.
登録日2007-09-10
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
4D1C
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BU of 4d1c by Molmil
STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH bromovinylhydantoin bound.
分子名称: (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION
著者Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D.
登録日2014-05-01
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Embo J., 33, 2014
5HAZ
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BU of 5haz by Molmil
Structure of Chaetomium thermophilum Nup170 CTD
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoporin NUP170, ...
著者Lin, D.H, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
8K4R
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BU of 8k4r by Molmil
Structure of VinM-VinL complex
分子名称: Acyl-carrier-protein, Non-ribosomal peptide synthetase, SODIUM ION, ...
著者Miyanaga, A, Nagata, K, Nakajima, J, Chisuga, T, Kudo, F, Eguchi, T.
登録日2023-07-20
公開日2023-11-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Amide-Forming Adenylation Enzyme VinM in Vicenistatin Biosynthesis.
Acs Chem.Biol., 18, 2023
5HS6
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BU of 5hs6 by Molmil
Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-01-25
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
著者Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
登録日2016-01-08
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.584 Å)
主引用文献Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
4CZN
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BU of 4czn by Molmil
Crystal structure of the extralong fungal manganese peroxidase from Ceriporiopsis subvermispora
分子名称: CALCIUM ION, EXTRALONG MANGANESE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Medrano, F.J, Romero, A.
登録日2014-04-21
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Structural Implications of the C-Terminal Tail in the Catalytic and Stability Properties of Manganese Peroxidases from Ligninolytic Fungi
Acta Crystallogr.,Sect.D, 70, 2014
5HJG
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BU of 5hjg by Molmil
Crystal Structure of Human Transthyretin in Complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SODIUM ION, Transthyretin
著者Begum, A, Iakovleva, I, Brannstrom, K, Zhang, J, Andersson, P, Olofsson, A, Sauer-Eriksson, A.E.
登録日2016-01-13
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tetrabromobisphenol A Is an Efficient Stabilizer of the Transthyretin Tetramer.
Plos One, 11, 2016
4DN0
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BU of 4dn0 by Molmil
PelD 156-455 from Pseudomonas aeruginosa PA14 in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein pelD, SODIUM ION, ...
著者Whitney, J.C, Colvin, K.M, Marmont, L.S, Robinson, H, Parsek, M.R, Howell, P.L.
登録日2012-02-08
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Cytoplasmic Region of PelD, a Degenerate Diguanylate Cyclase Receptor That Regulates Exopolysaccharide Production in Pseudomonas aeruginosa.
J.Biol.Chem., 287, 2012
3E8L
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BU of 3e8l by Molmil
The Crystal Structure of the Double-headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Bao, R, Jiang, C.-H, Chi, C.W, Lin, S.X, Chen, Y.X.
登録日2008-08-20
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The ternary structure of double-headed arrowhead protease inhibitor API-A complexed with two trypsins reveals a novel reactive site conformation.
J.Biol.Chem., 284, 2009
8ORO
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BU of 8oro by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
著者Bui, S, Steiner, R.A.
登録日2023-04-15
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
5HL0
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BU of 5hl0 by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
分子名称: E3 ubiquitin-protein ligase CBL, SODIUM ION, Sprouty 2 (SPRY2)
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
To Be Published
6ZM9
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BU of 6zm9 by Molmil
PHAGE SAM LYASE IN COMPLEX WITH S-METHYL-5'-THIOADENOSINE
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A, PHOSPHATE ION, ...
著者Guo, X, Kanchugal P, S, Selmer, M.
登録日2020-07-02
公開日2021-02-24
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family.
Elife, 10, 2021
2BMI
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BU of 2bmi by Molmil
METALLO-BETA-LACTAMASE
分子名称: PROTEIN (CLASS B BETA-LACTAMASE), SODIUM ION, ZINC ION
著者Carfi, A, Duee, E, Dideberg, O.
登録日1998-09-17
公開日1998-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of the ZnII beta-lactamase from Bacteroides fragilis in an orthorhombic crystal form.
Acta Crystallogr.,Sect.D, 54, 1998
3E3Y
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Q138F HincII bound to GTTAAC and cocrystallized with 5 mM Ca2+
分子名称: 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DTP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ...
著者Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M.
登録日2008-08-08
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
5HKX
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BU of 5hkx by Molmil
Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CBL, SODIUM ION, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
登録日2016-01-14
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
To be published
5HLL
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Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R.
登録日2016-01-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016

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