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6EXU
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BU of 6exu by Molmil
Crystal structure of the DNA binding domain of fission yeast Sap1
分子名称: Switch-activating protein 1
著者Ekundayo, B, Joergensen, M, Schalch, T.
登録日2017-11-09
公開日2018-11-28
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Structure of the replication regulator Sap1 reveals functionally important interfaces.
Sci Rep, 8, 2018
6B2B
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BU of 6b2b by Molmil
Crystal structure of fluoride channel Fluc Ec2 F83M Mutant
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ...
著者Last, N.B, Sun, S, Pham, M.C, Miller, C.
登録日2017-09-19
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular determinants of permeation in a fluoride-specific ion channel.
Elife, 6, 2017
5UHO
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BU of 5uho by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with PUGNAc
分子名称: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
著者Klein, D.J, Elsen, N.L.
登録日2017-01-11
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
6XZX
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BU of 6xzx by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
5GVS
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BU of 5gvs by Molmil
Crystal structure of the DDX41 DEAD domain in an apo open form
分子名称: Probable ATP-dependent RNA helicase DDX41
著者Omura, H, Oikawa, D, Nakane, T, Kato, M, Ishii, R, Goto, Y, Suga, H, Ishitani, R, Tokunaga, F, Nureki, O.
登録日2016-09-06
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Analysis of DDX41: a bispecific immune receptor for DNA and cyclic dinucleotide
Sci Rep, 6, 2016
6Y00
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BU of 6y00 by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
分子名称: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
著者Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
登録日2020-02-05
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7ZTW
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BU of 7ztw by Molmil
Crystal Structure of Human Parechovirus 1 2A protein
分子名称: ACETATE ION, Protein 2A, SODIUM ION
著者von Castelmur, E, Perrakis, A.
登録日2022-05-11
公開日2023-05-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Human Parechovirus 1 2A protein
To Be Published
7Q10
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BU of 7q10 by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
分子名称: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
著者Pontillo, N, Guskov, A.
登録日2021-10-17
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
7ZU4
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BU of 7zu4 by Molmil
Crystal Structure of Human Parechovirus 1 2A protein lacking the C-terminal oligomerisation helix
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein 2A, ...
著者von Castelmur, E, Perrakis, A.
登録日2022-05-11
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Parechovirus 1 2A protein
To Be Published
7ZV6
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BU of 7zv6 by Molmil
Crystal Structure of Aichivirus A 2A protein
分子名称: Protein 2A
著者von Castelmur, E, Perrakis, A.
登録日2022-05-13
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structural and functional repurposing of picornavirus H/NC-motif 2A proteins
To Be Published
5UGJ
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BU of 5ugj by Molmil
Crystal structure of HTPA Reductase from neisseria meningitidis
分子名称: 4-hydroxy-tetrahydrodipicolinate reductase
著者Keown, J.K, Richards, E.W, Pearce, F.G, Goldstone, D.C.
登録日2017-01-08
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
7L04
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BU of 7l04 by Molmil
Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2
分子名称: Importin subunit alpha-1, VP1
著者Hoad, M, Forwood, J.
登録日2020-12-11
公開日2021-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2
To Be Published
6XZZ
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BU of 6xzz by Molmil
Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, Nuclear receptor corepressor 1, ...
著者Zacharchenko, T, Wright, S.C.
登録日2020-02-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
分子名称: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
著者Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-17
公開日2016-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-12
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
分子名称: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Wiesmann, C, Farady, C.
登録日2018-01-09
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
8R2J
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BU of 8r2j by Molmil
X-ray crystallographic structure of SwaQ2 in complex with NADP+ and doxorubicin
分子名称: DOXORUBICIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NmrA family transcriptional regulator
著者Schnell, R, Schneider, G.
登録日2023-11-06
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Two-Component Mono-Oxygenases Involved in Anthracycline 1-Hydroxylation
Acs Catalysis, 2024
6PNG
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BU of 6png by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine
分子名称: 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, brain, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6EYN
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BU of 6eyn by Molmil
Structure of the 8D6 (anti-IgE) Fab
分子名称: 1,2-ETHANEDIOL, 8D6 Fab heavy chain, 8D6 Fab light chain, ...
著者Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M.
登録日2017-11-13
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
8R2E
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BU of 8r2e by Molmil
X-ray crystallographic structure of SnoaL2 in complex with the polyketide reaction product
分子名称: 3',4'-demethoxy-nogalose-1-hydroxy-nogalamycinone, SnoL
著者Schnell, R, Schneider, G.
登録日2023-11-04
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Two-Component Mono-Oxygenases Involved in Anthracycline 1-Hydroxylation
Acs Catalysis, 2024
6Y1K
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BU of 6y1k by Molmil
Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant
分子名称: FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain
著者Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
登録日2020-02-12
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
6FFZ
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BU of 6ffz by Molmil
Crystal structure of R. ruber ADH-A, mutant F43H, Y54L
分子名称: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
登録日2018-01-09
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
8R86
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BU of 8r86 by Molmil
Xylanase from Bacillus circulans mutant E78Q/W71A
分子名称: Endo-1,4-beta-xylanase
著者Chikunova, A, Saberi, M, Ubbink, M.
登録日2023-11-28
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7PI6
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Trypanosoma brucei ISG65 bound to human complement C3d
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ...
著者Cook, A.D, Higgins, M.K.
登録日2021-08-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022

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