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4UZS
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BU of 4uzs by Molmil
Crystal structure of Bifidobacterium bifidum beta-galactosidase
Descriptor: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpah-Galactose.
FEBS J., 283, 2016
4V3W
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BU of 4v3w by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
Descriptor: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7LY4
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BU of 7ly4 by Molmil
Cryo-EM structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase, BmdC
Descriptor: BmdB, bacillamide NRPS, BmdC, ...
Authors:Sharon, I, Fortinez, C.M, Schmeing, T.M.
Deposit date:2021-03-05
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
4UXP
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BU of 4uxp by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
7QF8
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BU of 7qf8 by Molmil
Crystal structure of a bacterial pyranose 2-oxidase from Pseudoarthrobacter siccitolerans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, ...
Authors:Borges, P.T, Frazao, T, Taborda, A, Frazao, C, Martins, L.O.
Deposit date:2021-12-04
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
4UXY
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BU of 4uxy by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: ALPHA TUBULIN, BETA TUBULIN, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
1MFC
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BU of 1mfc by Molmil
HIGH RESOLUTION STRUCTURES OF ANTIBODY FAB FRAGMENT COMPLEXED WITH CELL-SURFACE OLIGOSACCHARIDE OF PATHOGENIC SALMONELLA
Descriptor: IGG1-LAMBDA SE155-4 FAB (HEAVY CHAIN), IGG1-LAMBDA SE155-4 FAB (LIGHT CHAIN), alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-10-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recognition of a carbohydrate antigenic determinant of Salmonella by an antibody.
Biochem.Soc.Trans., 21, 1993
4UZ8
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BU of 4uz8 by Molmil
The SeMet structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans
Descriptor: ENDO-BETA-1,4-GLUCANASE (CELULASE B), SULFATE ION
Authors:Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
7QDX
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BU of 7qdx by Molmil
bacterial IMPDH chimera
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
Authors:Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A.
Deposit date:2021-11-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
7LY7
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BU of 7ly7 by Molmil
Crystal structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC
Descriptor: 5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine, BmdB, Bacillamide NRPS, ...
Authors:Fortinez, C.M, Sharon, I, Schmeing, T.M.
Deposit date:2021-03-05
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
7QRL
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BU of 7qrl by Molmil
LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
Descriptor: DipM
Authors:Batuecas, M.T, Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2022-01-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:LytM domain of DipM, a coordinator of a complex net of autolysins in Caulobacter crescentus
Nat Commun, 2023
7QOZ
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BU of 7qoz by Molmil
Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
Descriptor: GLYCEROL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sonani, R.R, Dubin, G.
Deposit date:2021-12-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
To Be Published
7QVA
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BU of 7qva by Molmil
Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, Mangiferin, ...
Authors:Borges, P.T, Frazao, T, Taborda, T, Brissos, V, Frazao, C, Martins, L.O.
Deposit date:2022-01-20
Release date:2023-08-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
7QHF
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BU of 7qhf by Molmil
[FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Brocks, C, Duan, J, Hofmann, E, Happe, T.
Deposit date:2021-12-12
Release date:2023-09-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases.
Chemsuschem, 2023
7QLO
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BU of 7qlo by Molmil
rsKiiro pump dump probe structure by TR-SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLN
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BU of 7qln by Molmil
rsKiiro pump probe structure by TR-SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
4WBO
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BU of 4wbo by Molmil
Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox
Descriptor: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, CHLORIDE ION, Rhodopsin kinase
Authors:Homan, K.T, Tesmer, J.J.G.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Identification and characterization of amlexanox as a g protein-coupled receptor kinase 5 inhibitor.
Molecules, 19, 2014
4WDW
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BU of 4wdw by Molmil
17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone
Descriptor: 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
7RAX
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BU of 7rax by Molmil
ATP-binding state of the nucleotide-binding domain of Hsp70 DnaK mutant T199A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2021-07-04
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Visualization of Hsp70-catalyzed ATP Hydrolysis
To Be Published
1MQN
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BU of 1mqn by Molmil
BHA/LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:ha, y, stevens, d.j, skehel, j.j, wiley, d.c.
Deposit date:2002-09-16
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
4UVX
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BU of 4uvx by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one
Descriptor: 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
7REM
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BU of 7rem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
Descriptor: Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
To Be Published
4UZY
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BU of 4uzy by Molmil
Crystal structure of the Chlamydomonas IFT70 and IFT52 complex
Descriptor: CITRATE ANION, FLAGELLAR ASSOCIATED PROTEIN, INTRAFLAGELLAR TRANSPORT PROTEIN IFT52, ...
Authors:Taschner, M, Lorentzen, E.
Deposit date:2014-09-09
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.477 Å)
Cite:Crystal Structures of Ift70/52 and Ift52/46 Provide Insight Into Intraflagellar Transport B Core Complex Assembly.
J.Cell Biol., 207, 2014
7REL
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BU of 7rel by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
To Be Published
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published

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數據於2024-07-10公開中

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