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4C1P
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BU of 4c1p by Molmil
Geobacillus thermoglucosidasius GH family 52 xylosidase
分子名称: BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J.
登録日2013-08-13
公開日2014-05-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds
Acta Crystallogr.,Sect.D, 70, 2014
4CCX
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ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
登録日1995-03-17
公開日1995-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
7K2V
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BU of 7k2v by Molmil
PIKfyve/Fig4/Vac14 complex centered on PIKfyve - map2
分子名称: 1-phosphatidylinositol 3-phosphate 5-kinase
著者Lees, J.A, Reinisch, K.M, Li, P.
登録日2020-09-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
7K1W
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BU of 7k1w by Molmil
PIKfyve/Fig4/Vac14 complex centered on Fig4 - map3
分子名称: Fig4 Sac homology model
著者Lees, J.A, Reinisch, K.M, Li, P.
登録日2020-09-08
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
6EYU
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BU of 6eyu by Molmil
Crystal structure of the inward H(+) pump xenorhodopsin
分子名称: Bacteriorhodopsin, EICOSANE, RETINAL, ...
著者Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V.
登録日2017-11-13
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach.
Sci Adv, 3, 2017
5IHL
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BU of 5ihl by Molmil
STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB
分子名称: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2016-02-29
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
2MW1
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BU of 2mw1 by Molmil
NMR structure of the protein NP_809137.1 from Bacteroides thetaiotaomicron
分子名称: Lipocalin-like protein
著者Proudfoot, A, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2014-10-27
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the protein NP_809137.1 from Bacteroides thetaiotaomicron
To be Published
4E7D
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BU of 4e7d by Molmil
E. cloacae MurA in complex with UDP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2012-03-16
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Open-close transition of MurA
To be Published
2MQF
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BU of 2mqf by Molmil
NMR structure of spider toxin-TRTX-Hhn2b
分子名称: Mu-theraphotoxin-Hhn2b
著者Klint, J.K, Chin, Y.K.Y, Mobli, M.
登録日2014-06-19
公開日2015-07-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7
Mol.Pharmacol., 88, 2015
4EBK
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BU of 4ebk by Molmil
Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, tobramycin-bound
分子名称: 1,2-ETHANEDIOL, Aminoglycoside nucleotidyltransferase, CHLORIDE ION, ...
著者Stogios, P.J, Dong, A, Minasov, G, Evdokimova, E, Egorova, O, Yim, V, Kudritska, M, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-23
公開日2012-04-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, tobramycin-bound
To be Published
4EC0
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BU of 4ec0 by Molmil
Crystal structure of hH-PGDS with water displacing inhibitor
分子名称: 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ...
著者Day, J.E, Thorarensen, A, Trujillo, J.I.
登録日2012-03-26
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
4E7G
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BU of 4e7g by Molmil
E. cloacae C115D/R120A MurA in the unliganded state
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2012-03-16
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Open-close transition of MurA
To be Published
5IV0
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BU of 5iv0 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme A
分子名称: CHLORIDE ION, COENZYME A, Enhanced intracellular survival protein, ...
著者Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2016-03-18
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis.
J. Med. Chem., 59, 2016
7K1Y
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BU of 7k1y by Molmil
PIKfyve/Fig4/Vac14 complex centered on Vac14 - map1
分子名称: Vac14
著者Lees, J.A, Reinisch, K.M, Li, P.
登録日2020-09-08
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.25 Å)
主引用文献Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
4ERL
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BU of 4erl by Molmil
Crystal structure of the lysine riboswitch bound to a lysine-glycine dipeptide
分子名称: GLYCINE, LYSINE, Lysine riboswitch RNA
著者Garst, A.D, Porter, E, Batey, R.T.
登録日2012-04-20
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Insights into the regulatory landscape of the lysine riboswitch.
J.Mol.Biol., 423, 2012
1ZJ4
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BU of 1zj4 by Molmil
Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, C123S) bound with the PMS moiety of the protease inhibitor, Phenylmethylsulfonyl fluoride (PMSF)- 1.7 A
分子名称: Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION
著者Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L.
登録日2005-04-28
公開日2005-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
5J58
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BU of 5j58 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856)
分子名称: (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
4ED6
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BU of 4ed6 by Molmil
Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 6.7 for 15 hr, Sideway translocation
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
著者Nakamura, T, Zhao, Y, Yang, W.
登録日2012-03-27
公開日2012-07-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.211 Å)
主引用文献Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
6FIY
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BU of 6fiy by Molmil
Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP)
分子名称: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
著者Pfanzagl, V, Hofbauer, S, Mlynek, G.
登録日2018-01-19
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09000432 Å)
主引用文献Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6EST
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BU of 6est by Molmil
INTERACTION OF THE PEPTIDE CF3-LEU-ALA-NH-C6H4-CF3(TFLA) WITH PORCINE PANCREATIC ELASTASE. X-RAY STUDIES AT 1.8 ANGSTROMS
分子名称: CALCIUM ION, DIMETHYLFORMAMIDE, PORCINE PANCREATIC ELASTASE, ...
著者Prange, T, Li De Lasierra, I.
登録日1990-06-15
公開日1991-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
2NAO
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BU of 2nao by Molmil
Atomic resolution structure of a disease-relevant Abeta(1-42) amyloid fibril
分子名称: Beta-amyloid protein 42
著者Waelti, M.A, Ravotti, F, Arai, H, Glabe, C, Wall, J, Bockmann, A, Guntert, P, Meier, B.H, Riek, R.
登録日2016-01-07
公開日2016-07-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Atomic-resolution structure of a disease-relevant A beta (1-42) amyloid fibril.
Proc.Natl.Acad.Sci.USA, 113, 2016
1W7B
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BU of 1w7b by Molmil
Annexin A2: Does it induce membrane aggregation by a new multimeric state of the protein.
分子名称: ANNEXIN A2
著者Rosengarth, A, Luecke, H.
登録日2004-09-01
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Annexin A2: Does It Induce Membrane Aggregation by a New Multimeric State of the Protein
Annexins, 1, 2004
5JFC
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BU of 5jfc by Molmil
NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W.
登録日2016-04-19
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Mechanistic insights into energy conservation by flavin-based electron bifurcation.
Nat. Chem. Biol., 13, 2017
7THF
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BU of 7thf by Molmil
Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B53
分子名称: 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)pentanedioic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7TGV
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2
分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022

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