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5IQH
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Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) S214A mutant in complex with GMPPNP and Magnesium
分子名称: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2016-03-10
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
7EXW
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BU of 7exw by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with alpha-L-arabinofuranosylamide
分子名称: 2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
5WB0
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BU of 5wb0 by Molmil
Crystal structure of human metapneumovirus fusion glycoprotein stabilized in the prefusion state
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, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S.
登録日2017-06-27
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure and immunogenicity of pre-fusion-stabilized human metapneumovirus F glycoprotein.
Nat Commun, 8, 2017
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
分子名称: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
著者Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
7EXU
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BU of 7exu by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 E322Q mutant complexed with p-nitrophenyl beta-L-arabinofuranoside
分子名称: (2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Maruyama, S, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-05-28
公開日2021-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
5F2Y
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BU of 5f2y by Molmil
A de novo designed heptameric coiled coil CC-Hept-homoCys-H-E
分子名称: CC-Hept-hCys-H-E
著者Burton, A.J, Brady, R.L, Woolfson, D.N.
登録日2015-12-02
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Installing hydrolytic activity into a completely de novo protein framework.
Nat.Chem., 8, 2016
5IHI
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BU of 5ihi by Molmil
Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, Spectrin alpha chain, ...
著者Camara-Artigas, A.
登録日2016-02-29
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G
to be published
5F3F
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Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain
分子名称: 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH
著者Klein, R.D, Hultgren, S.J.
登録日2015-12-02
公開日2016-12-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.
J.Med.Chem., 59, 2016
5EUJ
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BU of 5euj by Molmil
PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ...
著者Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
登録日2015-11-18
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of pyruvate decarboxylase from Zymobacter palmae.
Acta Crystallogr.,Sect.F, 72, 2016
7EXV
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BU of 7exv by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranoylamide
分子名称: 2-bromanyl-N-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Sawano, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate complex structure, active site labeling and catalytic role of the zinc ion in cysteine glycosidase.
Glycobiology, 32, 2022
5IPX
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BU of 5ipx by Molmil
Structure of ORF49 from KSHV
分子名称: ORF49 protein, SULFATE ION
著者Hew, K, Nordlund, P.
登録日2016-03-10
公開日2016-11-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Open Reading Frame 49 Protein Encoded by Kaposi's Sarcoma-Associated Herpesvirus.
J. Virol., 91, 2017
5IKG
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BU of 5ikg by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
分子名称: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Romero, A, Davo-Siguero, I, Martinez, A.T.
登録日2016-03-03
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 6, 2016
5V80
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PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
分子名称: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2017-03-21
公開日2018-04-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
5IQB
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BU of 5iqb by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Kanamycin A
分子名称: Bifunctional AAC/APH, CHLORIDE ION, KANAMYCIN A, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2016-03-10
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
著者Hall, J.
登録日2017-03-22
公開日2017-09-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5VAH
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BU of 5vah by Molmil
Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26
分子名称: Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-26
公開日2017-04-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5F91
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BU of 5f91 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FIX
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BU of 5fix by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with sucrose
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, BETA-FRUCTOFURANOSIDASE, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2015-10-02
公開日2016-02-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
5IT8
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BU of 5it8 by Molmil
High-resolution structure of the Escherichia coli ribosome
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
著者Cocozaki, A, Ferguson, A.
登録日2016-03-16
公開日2016-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FAE
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BU of 5fae by Molmil
N184K pathological variant of gelsolin domain 2 (trigonal form)
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Boni, F, Milani, M, Ricagno, S, Bolognesi, M, de Rosa, M.
登録日2015-12-11
公開日2016-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of a novel renal amyloidosis due to N184K gelsolin variant.
Sci Rep, 6, 2016
7F6Q
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BU of 7f6q by Molmil
Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo state
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ...
著者Kanaujia, S.P, Mandal, S.K.
登録日2021-06-25
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
5FB8
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Structure of Interleukin-16 bound to the 14.1 antibody
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-IL-16 antibody 14.1 Fab domain Heavy Chain, ...
著者Hall, G, Cowan, R, Bayliss, R, Carr, M.
登録日2015-12-14
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of a Potential Therapeutic Antibody Bound to Interleukin-16 (IL-16): MECHANISTIC INSIGHTS AND NEW THERAPEUTIC OPPORTUNITIES.
J.Biol.Chem., 291, 2016
5FBG
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S1 nuclease from Aspergillus oryzae, mutant D65N, in complex with phosphate, 2'-deoxycytidine and 2'-deoxyguanosine.
分子名称: 2'-DEOXY-GUANOSINE, 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Koval, T, Oestergaard, L.H, Dohnalek, J.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
7F6S
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Crystal structure of metal-citrate-binding mutant (T199A) protein (MctA) of ABC transporter in apo state
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
著者Kanaujia, S.P, Mandal, S.K.
登録日2021-06-25
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
7F6T
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Crystal structure of metal-citrate-binding mutant (Y221F) protein (MctA) of ABC transporter in apo state
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CARBON DIOXIDE, ...
著者Kanaujia, S.P, Mandal, S.K.
登録日2021-06-25
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021

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