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4HST
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BU of 4hst by Molmil
Crystal structure of a double mutant of a class III engineered cephalosporin acylase
分子名称: 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain
著者Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L.
登録日2012-10-30
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity.
Biochem.J., 451, 2013
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
著者Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
6LVH
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BU of 6lvh by Molmil
Crystal structure of methionine aminopeptidase from Pyrococcus furiosus
分子名称: GLYCEROL, Methionine aminopeptidase
著者Addlagatta, A, Sandeep, C.B.
登録日2020-02-03
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of methionine aminopeptidase from Pyrococcus furiosus
To Be Published
6LX8
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BU of 6lx8 by Molmil
X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, OLEIC ACID, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-21
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I2A
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BU of 6i2a by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2018-11-01
公開日2019-05-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6LZ0
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BU of 6lz0 by Molmil
Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-02-16
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
3IP5
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BU of 3ip5 by Molmil
Structure of Atu2422-GABA receptor in complex with alanine
分子名称: ABC transporter, substrate binding protein (Amino acid), ALANINE, ...
著者Morera, S, Planamente, S, Vigouroux, A.
登録日2009-08-17
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
6I3G
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BU of 6i3g by Molmil
Crystal structure of a putative peptide binding protein AppA from Clostridium difficile
分子名称: ABC transporter, substrate-binding protein, family 5, ...
著者Hughes, A.M, Wilkinson, A, Dodson, E.
登録日2018-11-06
公開日2019-04-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile.
Acta Crystallogr.,Sect.F, 75, 2019
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
分子名称: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-19
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
7VBU
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BU of 7vbu by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5
分子名称: 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
登録日2021-09-01
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
6M5O
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BU of 6m5o by Molmil
Co-crystal structure of human serine hydroxymethyltransferase 2 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCINE, Serine hydroxymethyltransferase, ...
著者Ota, T, Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K, Sando, S.
登録日2020-03-11
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.30000663 Å)
主引用文献Structural basis for selective inhibition of human serine hydroxymethyltransferase by secondary bile acid conjugate.
Iscience, 24, 2021
7VBX
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BU of 7vbx by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20
分子名称: (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
登録日2021-09-01
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VR9
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BU of 7vr9 by Molmil
Crystal structure of human serum albumin complex with aripiprazole and myristic acid
分子名称: 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYRISTIC ACID, Serum albumin
著者Kawai, A, Yamasaki, K, Otagiri, M.
登録日2021-10-22
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Effects of Myristate on the Induced Circular Dichroism Spectra of Aripiprazole Bound to Human Serum Albumin: A Structural-Chemical Investigation
Acs Omega, 7, 2022
7VBV
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BU of 7vbv by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7
分子名称: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
登録日2021-09-01
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
2UYL
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BU of 2uyl by Molmil
Crystal structure of a monoclonal antibody directed against an antigenic determinant common to Ogawa and Inaba serotypes of Vibrio cholerae O1
分子名称: MONOCLONAL ANTIBODY F-22-30
著者Ahmed, F, Haouz, A, Nato, F, Fournier, J.M, Alzari, P.M.
登録日2007-04-10
公開日2008-05-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Monoclonal Antibody Directed Against an Antigenic Determinant Common to Ogawa and Inaba Serotypes of Vibrio Cholerae O1.
Proteins, 70, 2008
3E77
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BU of 3e77 by Molmil
Human phosphoserine aminotransferase in complex with PLP
分子名称: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Lehtio, L, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, S.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Wisniewska, M, Weigelt, J, Schueler, H, Structural Genomics Consortium (SGC)
登録日2008-08-18
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human phosphoserine aminotransferase in complex with PLP
TO BE PUBLISHED
1WWG
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BU of 1wwg by Molmil
NMR Structure Determined for MLV NC Complex with RNA Sequence UAUCUG
分子名称: 5'-R(P*UP*AP*UP*CP*UP*G)-3', Nucleoprotein p10, ZINC ION
著者Dey, A, York, D, Smalls-Mantey, A, Summers, M.F.
登録日2005-01-05
公開日2005-04-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Composition and sequence-dependent binding of RNA to the nucleocapsid protein of Moloney murine leukemia virus(,)
Biochemistry, 44, 2005
6LLE
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BU of 6lle by Molmil
CryoEM structure of SERCA2b WT in E1-2Ca2+-AMPPCP state.
分子名称: CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K.
登録日2019-12-23
公開日2020-08-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
3ELB
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BU of 3elb by Molmil
Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Ethanolamine-phosphate cytidylyltransferase, GLYCEROL
著者Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-09-22
公開日2008-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human CTP:Phosphoethanolamine Cytidylyltransferase
To be Published
6LLY
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BU of 6lly by Molmil
CryoEM structure of SERCA2b WT in E2-BeF3- state
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
著者Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K.
登録日2019-12-24
公開日2020-08-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
2UWJ
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BU of 2uwj by Molmil
Structure of the heterotrimeric complex which regulates type III secretion needle formation
分子名称: NICKEL (II) ION, TYPE III EXPORT PROTEIN PSCE, TYPE III EXPORT PROTEIN PSCF, ...
著者Quinaud, M, Ple, S, Job, V, Contreras-Martel, C, Simorre, J.P, Attree, I, Dessen, A.
登録日2007-03-22
公開日2007-05-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the heterotrimeric complex that regulates type III secretion needle formation.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
3IKO
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BU of 3iko by Molmil
Crystal structure of the heterotrimeric Sec13-Nup145C-Nup84 nucleoporin complex
分子名称: Nucleoporin NUP145C, Nucleoporin NUP84, Protein transport protein SEC13
著者Nagy, V, Hsia, K.-C, Debler, E.W, Davenport, A, Blobel, G, Hoelz, A.
登録日2009-08-06
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a trimeric nucleoporin complex reveals alternate oligomerization states.
Proc.Natl.Acad.Sci.USA, 106, 2009
1IZJ
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BU of 1izj by Molmil
Thermoactinomyces vulgaris R-47 alpha-amylase 1 mutant enzyme f313a
分子名称: CALCIUM ION, amylase
著者Ohtaki, A, Iguchi, A, Mizuno, M, Tonozuka, T, Sakano, Y, Kamitori, S.
登録日2002-10-03
公開日2003-07-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutual conversion of substrate specificities of Thermoactinomyces vulgaris R-47 alpha-amylases TVAI and TVAII by site-directed mutagenesis
CARBOHYDR.RES., 338, 2003
1E6J
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BU of 1e6j by Molmil
Crystal structure of HIV-1 capsid protein (p24) in complex with Fab13B5
分子名称: CAPSID PROTEIN P24, IMMUNOGLOBULIN
著者Berthet-Colominas, C, Monaco, S, Novelli, A, Sibai, G, Mallet, F, Cusack, S.
登録日2000-08-18
公開日2000-11-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mutual Conformational Adaptations in Antigen and Antibody Upon Complex Formation between an Fab and HIV-1 Capsid Protein P24
Structure, 8, 2000

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