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8AP6
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Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
著者Muehleip, A, Gahura, O, Zikova, A, Amunts, A.
登録日2022-08-09
公開日2022-12-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
7FIV
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BU of 7fiv by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
分子名称: CidA_I gamma/2 protein, CidB_I b/2 protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
4R6S
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BU of 4r6s by Molmil
Crystal structure of PPARgammma in complex with SR1663
分子名称: 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
著者Marciano, D.P, Griffin, P.R, Bruning, J.B.
登録日2014-08-26
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
6HK3
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BU of 6hk3 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C44
分子名称: 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6AS5
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BU of 6as5 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A
分子名称: ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-23
公開日2018-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LTW
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BU of 5ltw by Molmil
Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6
分子名称: 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6, ...
著者Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V.
登録日2016-09-07
公開日2017-02-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
7K7T
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BU of 7k7t by Molmil
Crystal structure of human MORC4 ATPase-CW in complex with AMPPNP
分子名称: Isoform 3 of MORC family CW-type zinc finger protein 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Klein, B.J, Tencer, A.H, Kutateladze, T.G.
登録日2020-09-24
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Molecular mechanism of the MORC4 ATPase activation.
Nat Commun, 11, 2020
4QV2
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BU of 4qv2 by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with HBGA A-trisaccharide
分子名称: 1,2-ETHANEDIOL, VP1
著者Singh, B.K, Hansman, G.S.
登録日2014-07-14
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
5FWX
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BU of 5fwx by Molmil
Crystal structure of the AMPA receptor GluA2/A4 N-terminal domain heterodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 4, ...
著者Garcia-Nafria, J, Herguedas, B, Greger, I.H.
登録日2016-02-21
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors.
Science, 352, 2016
7KC4
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BU of 7kc4 by Molmil
Human WLS in complex with WNT8A
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F.
登録日2020-10-05
公開日2021-01-06
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion.
Cell, 184, 2021
6AWY
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BU of 6awy by Molmil
Structure of peanut allergen Ara h 8.01.
分子名称: Ara h 8 allergen, SODIUM ION, SULFATE ION
著者Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M.
登録日2017-09-06
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of PR-10 Allergen Ara h 8.01.
To Be Published
6F7W
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BU of 6f7w by Molmil
Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form
分子名称: Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ...
著者Guagnini, F, Rennie, M.L, Crowley, P.B.
登録日2017-12-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein.
Angew. Chem. Int. Ed. Engl., 57, 2018
6AYM
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BU of 6aym by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYS
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BU of 6ays by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
4RF0
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BU of 4rf0 by Molmil
Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522)
分子名称: 3-AMINOPROPANE, ORF1ab protein, SULFATE ION, ...
著者Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L.
登録日2014-09-24
公開日2014-10-22
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
5FUD
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BU of 5fud by Molmil
Oceanobacillus iheyensis macrodomain with MES bound
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, O-ACETYL-ADP-RIBOSE DEACETYLASE, ...
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-01-25
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis ofOceanobacillus iheyensismacrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
6HSK
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BU of 6hsk by Molmil
Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat
分子名称: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
7JX9
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BU of 7jx9 by Molmil
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid.
分子名称: (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ...
著者Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D.
登録日2020-08-26
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
5MHK
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BU of 5mhk by Molmil
ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter
分子名称: CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ...
著者Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2016-11-24
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
6F0D
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BU of 6f0d by Molmil
Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions
分子名称: CADMIUM ION, VHH antibody BCD090-M2
著者Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B.
登録日2017-11-19
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.90000749 Å)
主引用文献Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
2VZO
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BU of 2vzo by Molmil
Crystal structure of Amycolatopsis orientalis exo-chitosanase CsxA
分子名称: ACETATE ION, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE, ...
著者Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
登録日2008-08-05
公開日2008-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
6T32
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BU of 6t32 by Molmil
Streptavidin variants harbouring an artificial organocatalyst based cofactor
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin
著者Lechner, H, Hocker, B.
登録日2019-10-10
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
6FA1
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BU of 6fa1 by Molmil
Antibody derived (Abd-4) small molecule binding to KRAS.
分子名称: 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
5MBV
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BU of 5mbv by Molmil
Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD.
分子名称: Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Wilkinson, M, Chaban, Y, Wigley, D.B.
登録日2016-11-08
公開日2017-01-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
5FNZ
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BU of 5fnz by Molmil
F206W mutant of FAD synthetase from Corynebacterium ammoniagenes
分子名称: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
著者Martinez-Julvez, M, Herguedas, B, Milagros, M.
登録日2015-11-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The trimer interface in the quaternary structure of the bifunctional prokaryotic FAD synthetase from Corynebacterium ammoniagenes.
Sci Rep, 7, 2017

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