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8E1A
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BU of 8e1a by Molmil
Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
分子名称: 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor
著者Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A.
登録日2022-08-10
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
5MFD
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BU of 5mfd by Molmil
Designed armadillo repeat protein YIIIM''6AII in complex with pD_(KR)5
分子名称: CALCIUM ION, Capsid decoration protein,pD_(KR)5, YIIIM''6AII
著者Hansen, S, Kiefer, J, Madhurantakam, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of designed armadillo repeat proteins binding to peptides fused to globular domains.
Protein Sci., 26, 2017
6J42
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BU of 6j42 by Molmil
Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena
分子名称: Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ...
著者Bihani, S.C, Chakravarty, D, Ballal, A.
登録日2019-01-07
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase.
Plant Cell Environ, 42, 2019
4GOA
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BU of 4goa by Molmil
Crystal structure of jack bean urease inhibited with fluoride
分子名称: FLUORIDE ION, NICKEL (II) ION, Urease
著者Balasubramania, A, Ponnuraj, K.
登録日2012-08-19
公開日2013-08-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of jack bean urease inhibited with fluoride
To be Published
8EBG
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BU of 8ebg by Molmil
Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis
分子名称: ACETIC ACID, FEIII-dicitrate-binding periplasmic lipoprotein FecB, FORMIC ACID, ...
著者Cuff, M, Kim, Y, Endres, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2022-08-31
公開日2022-09-14
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of the probable FhuD FeIII-dicitrate-binding domain protein FecB from Mycobacterium tuberculosis
To Be Published
2C45
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BU of 2c45 by Molmil
NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
分子名称: Aspartate 1-decarboxylase
著者Gopalan, G, Chopra, S, Ranganathan, A, Swaminathan, K.
登録日2005-10-15
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of uncleaved L-aspartate-alpha-decarboxylase from Mycobacterium tuberculosis.
Proteins, 65, 2006
8EBF
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BU of 8ebf by Molmil
C-terminal (TPR) domain of LIC11990 from Leptospira interrogans
分子名称: ACETATE ION, Cytoplasmic membrane protein, GLYCEROL
著者Larrieux, N, Buschiazzo, A.
登録日2022-08-31
公開日2022-09-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and function of a novel membrane-associated protein from Leptospira interrogans (gene LIC11990)
To Be Published
6J39
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BU of 6j39 by Molmil
Crystal structure of CmiS2 with inhibitor
分子名称: (3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid, FAD-dependent glycine oxydase, FLAVIN-ADENINE DINUCLEOTIDE
著者Kawasaki, D, Chisuga, T, Miyanaga, A, Kudo, F, Eguchi, T.
登録日2019-01-04
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Analysis of the Glycine Oxidase Homologue CmiS2 Reveals a Unique Substrate Recognition Mechanism for Formation of a beta-Amino Acid Starter Unit in Cremimycin Biosynthesis.
Biochemistry, 58, 2019
5MHL
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BU of 5mhl by Molmil
FXIIIa in complex with the inhibitor Mi0621
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Coagulation factor XIII A chain, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献FXIIIa in complex with the inhibitor Mi0621
To Be Published
1FN6
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BU of 1fn6 by Molmil
CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.1% POLYDOCANOL
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, METHANOL, ...
著者Deepthi, S, Johnson, A, Pattabhi, V.
登録日2000-08-21
公開日2000-09-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of porcine beta-trypsin-detergent complexes: the stabilization of proteins through hydrophilic binding of polydocanol.
Acta Crystallogr.,Sect.D, 57, 2001
1P0C
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BU of 1p0c by Molmil
Crystal Structure of the NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8)
分子名称: GLYCEROL, NADP-dependent ALCOHOL DEHYDROGENASE, PHOSPHATE ION, ...
著者Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F.
登録日2003-04-10
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Vertebrate NADP(H)-dependent Alcohol Dehydrogenase (ADH8)
J.Mol.Biol., 330, 2003
1FAI
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BU of 1fai by Molmil
THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY
分子名称: IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN)
著者Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A.
登録日1992-05-27
公開日1992-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody.
Proc.Natl.Acad.Sci.USA, 89, 1992
5MPY
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BU of 5mpy by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF9
分子名称: CALCIUM ION, Multiple organellar RNA editing factor 9, chloroplastic
著者Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
登録日2016-12-19
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017
5MFE
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BU of 5mfe by Molmil
Designed armadillo repeat protein YIIIM5AII in complex with (RR)4 peptide
分子名称: (RR)4, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
5MFM
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BU of 5mfm by Molmil
Designed armadillo repeat protein peptide fusion YIIIM6AII_GS11_(KR)5
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Importin subunit alpha, ...
著者Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
6JKT
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BU of 6jkt by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA).
分子名称: Aspartate carbamoyltransferase, GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
著者Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
登録日2019-03-01
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
4M09
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BU of 4m09 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q
分子名称: 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ...
著者Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
3ZCG
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BU of 3zcg by Molmil
Ascorbate peroxidase W41A-H42C mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
著者Gumiero, A, Raven, E.L, Moody, P.C.E.
登録日2012-11-20
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Probing the Conformational Mobility of the Active Site of a Heme Peroxidase.
Dalton Trans, 42, 2013
6IOK
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BU of 6iok by Molmil
Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state)
分子名称: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
著者Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
登録日2018-10-30
公開日2019-04-03
最終更新日2019-04-17
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
1PAM
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BU of 1pam by Molmil
CYCLODEXTRIN GLUCANOTRANSFERASE
分子名称: CALCIUM ION, CYCLODEXTRIN GLUCANOTRANSFERASE
著者Harata, K, Haga, K, Nakamura, A, Aoyagi, M, Yamane, K.
登録日1996-07-08
公開日1997-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of cyclodextrin glucanotransferase from alkalophilic Bacillus sp. 1011. Comparison of two independent molecules at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
5LC4
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BU of 5lc4 by Molmil
Xray structure of mouse FAM3C ILEI dimer
分子名称: Protein FAM3C
著者Johansson, P, Jansson, A.
登録日2016-06-19
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer.
J. Biol. Chem., 292, 2017
6IUE
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BU of 6iue by Molmil
DNA helical wire containing Hg(II)
分子名称: DNA (5'-D(*TP*TP*TP*GP*C)-3'), MERCURY (II) ION
著者Ono, A, Kanazawa, H, Ito, H, Goto, M, Nakamura, K, Saneyoshi, H, Kondo, J.
登録日2018-11-28
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A Novel DNA Helical Wire Containing HgII-Mediated T:T and T:G Pairs.
Angew.Chem.Int.Ed.Engl., 58, 2019
2C0I
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BU of 2c0i by Molmil
Src family kinase Hck with bound inhibitor A-420983
分子名称: CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK
著者Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A.
登録日2005-09-03
公開日2006-09-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
3ZJ7
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BU of 3zj7 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-1
分子名称: (1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
著者Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
登録日2013-01-17
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
2C30
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BU of 2c30 by Molmil
Crystal Structure Of The Human P21-Activated Kinase 6
分子名称: CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6
著者Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S.
登録日2005-10-02
公開日2006-02-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007

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