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5OG4
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Cu nitrite reductase serial data at varying temperatures RT 0.18MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
7AP5
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BU of 7ap5 by Molmil
Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome.
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E.
登録日2020-10-15
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.131 Å)
主引用文献The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome
To Be Published
7AZ5
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DNA polymerase sliding clamp from Escherichia coli with peptide 47 bound
分子名称: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, Peptide 47, ...
著者Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
登録日2020-11-16
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
6UF1
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BU of 6uf1 by Molmil
Pistol ribozyme transition-state analog vanadate
分子名称: MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER)
著者Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R.
登録日2019-09-23
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TVD
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BU of 6tvd by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue, 3'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
7AZL
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BU of 7azl by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 38 bound
分子名称: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
登録日2020-11-16
公開日2021-12-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
6UFC
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BU of 6ufc by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4)
分子名称: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.325 Å)
主引用文献Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
6UFN
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BU of 6ufn by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]heptan-2-one
分子名称: 7-[(3-aminopropyl)amino]heptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-24
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
7AZ7
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BU of 7az7 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 37 bound
分子名称: Beta sliding clamp, FORMIC ACID, PENTAETHYLENE GLYCOL, ...
著者Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
登録日2020-11-16
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZ6
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BU of 7az6 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 36 bound
分子名称: ACETATE ION, Beta sliding clamp, CHLORIDE ION, ...
著者Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
登録日2020-11-16
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
5O0O
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BU of 5o0o by Molmil
Deglycosylated Nogo Receptor with native disulfide structure 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pronker, M.F, Janssen, B.J.C.
登録日2017-05-16
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nogo Receptor crystal structures with a native disulfide pattern suggest a novel mode of self-interaction.
Acta Crystallogr D Struct Biol, 73, 2017
6TWI
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BU of 6twi by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
5O3D
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BU of 5o3d by Molmil
Human Brd2(BD2) mutant in complex with 9-ET
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
7ASJ
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BU of 7asj by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide
分子名称: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2020-10-27
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
6TX0
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BU of 6tx0 by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
7B0E
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BU of 7b0e by Molmil
Crystal structure of SmbA loop deletion mutant
分子名称: 1,2-ETHANEDIOL, 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), CALCIUM ION, ...
著者Dubey, B.N, Schirmer, T.
登録日2020-11-19
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystal structure of loop deletion mutant SmbA bound to a monomeric c-di-GMP
To Be Published
6TXS
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BU of 6txs by Molmil
The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide
分子名称: CD44 antigen, Moesin
著者Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-01-14
公開日2020-01-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
6UHV
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BU of 6uhv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
5MU3
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BU of 5mu3 by Molmil
Crystal structure of Ctf19-Mcm21 kinetochore assembly bound with Ctf19-Mcm21 binding motif of central kinetochore subunit Okp1
分子名称: Central kinetochore subunit CTF19, Central kinetochore subunit MCM21, Central kinetochore subunit Okp1
著者Schmitzberger, F.
登録日2017-01-12
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for inner kinetochore configuration through RWD domain-peptide interactions.
EMBO J., 36, 2017
5MUM
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BU of 5mum by Molmil
Glycoside Hydrolase BACINT_00347
分子名称: 1,2-ETHANEDIOL, BACINT_00347, PENTAETHYLENE GLYCOL
著者Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J.
登録日2017-01-13
公開日2017-04-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6UII
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BU of 6uii by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
分子名称: WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
6TYM
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BU of 6tym by Molmil
KEAP1 Kelch domain in complex with Compound 9
分子名称: (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Marcotte, D.J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
5MVL
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BU of 5mvl by Molmil
Crystal structure of an A-DNA dodecamer containing 5-bromouracil
分子名称: Brominated DNA dodecamer, MAGNESIUM ION
著者Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
登録日2017-01-16
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.405 Å)
主引用文献5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
5M8H
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BU of 5m8h by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
著者Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G.
登録日2016-10-28
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase.
Biochemistry, 56, 2017

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