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2UZH
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BU of 2uzh by Molmil
Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)
分子名称: 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
著者Buetow, L, Brown, A.C, Parish, T, Hunter, W.N.
登録日2007-04-27
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery.
Bmc Struct.Biol., 7, 2007
6DA7
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BU of 6da7 by Molmil
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SODIUM ION, ...
著者Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-05-01
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
4ATN
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BU of 4atn by Molmil
Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli
分子名称: 1,2-ETHANEDIOL, GLYCEROL, RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE M, ...
著者Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M.
登録日2012-05-08
公開日2012-08-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
7YJP
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BU of 7yjp by Molmil
Crystal structure of MCR-1 treated by AuCl
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Wang, M, Sun, H.
登録日2022-07-20
公開日2023-02-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7YJR
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BU of 7yjr by Molmil
Crystal structure of MCR-1-S treated by sodium aurothiomalate
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Sun, H, Wang, M.
登録日2022-07-20
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
7YJQ
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BU of 7yjq by Molmil
Crystal structure of MCR-1-S treated by auranofin
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Sun, H, Wang, M.
登録日2022-07-20
公開日2023-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
1L8F
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BU of 1l8f by Molmil
Structure of 20K-endoglucanase from Melanocarpus albomyces at 1.8 A
分子名称: Endoglucanase
著者Valjakka, J, Rouvinen, J.
登録日2002-03-20
公開日2003-04-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of 20K endoglucanase from Melanocarpus albomyces at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
9N0V
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BU of 9n0v by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027
分子名称: Capsid protein p24, N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Dinh, T.T, Kvaratskhelia, M.
登録日2025-01-24
公開日2025-06-18
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Delineating structural functionalities of Lenacapavir amenable to modifications for targeting emerging drug-resistant HIV-1 capsid variants
To Be Published
7TC9
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BU of 7tc9 by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, Light chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (5.08 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7YJT
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BU of 7yjt by Molmil
Crystal structure of MCR-1-S treated by aurothioglucose
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Sun, H, Wang, M.
登録日2022-07-20
公開日2023-02-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
6DHD
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BU of 6dhd by Molmil
Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Smith, T.J.
登録日2018-05-19
公開日2018-07-25
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
4AZB
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BU of 4azb by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
分子名称: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
著者Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
登録日2012-06-25
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
5DOH
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BU of 5doh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-09-11
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
3LWD
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BU of 3lwd by Molmil
Crystal structure of Putative 6-phosphogluconolactonase (YP_574786.1) from Chromohalobacter salexigens DSM 3043 at 1.88 A resolution
分子名称: 6-phosphogluconolactonase, GLYCEROL, SODIUM ION
著者Joint Center for Structural Genomics (JCSG)
登録日2010-02-23
公開日2010-04-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Putative 6-phosphogluconolactonase (YP_574786.1) from Chromohalobacter salexigens DSM 3043 at 1.88 A resolution
To be published
7TMR
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BU of 7tmr by Molmil
V-ATPase from Saccharomyces cerevisiae, State 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, H(+)-transporting two-sector ATPase, V-type proton ATPase subunit C, ...
著者Vasanthakumar, T, Keon, K.A, Bueler, S.A, Jaskolka, M.C, Rubinstein, J.L.
登録日2022-01-19
公開日2022-04-13
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Coordinated conformational changes in the V 1 complex during V-ATPase reversible dissociation.
Nat.Struct.Mol.Biol., 29, 2022
8TOX
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BU of 8tox by Molmil
Cryo-EM structure of BG505 Env mutant A517E in complex with antibody ACS202 Fab
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, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-08-04
公開日2024-08-14
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Vaccine-elicited and naturally elicited antibodies differ in their recognition of the HIV-1 fusion peptide.
Front Immunol, 15, 2024
6G8M
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BU of 6g8m by Molmil
Yeast 20S proteasome in complex with Cystargolide B Derivative 1
分子名称: (2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Tello-Aburto, R.
登録日2018-04-09
公開日2018-09-12
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
2VCH
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BU of 2vch by Molmil
Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants
分子名称: 1,2-ETHANEDIOL, HYDROQUINONE GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE
著者Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R.
登録日2007-09-24
公開日2007-10-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
6LF4
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BU of 6lf4 by Molmil
Crystal structure of VMB-1 bound to hydrolyzed meropenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, VMB-1 metallo-beta-lactamase, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-11-28
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of VMB-1 bound to hydrolyzed meropenem
To Be Published
6RV2
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BU of 6rv2 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
9JU0
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BU of 9ju0 by Molmil
C-terminally truncated dextran dextrinase bound with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CITRIC ACID, ...
著者Tagami, T, Matsugaki, N, Saburi, W, Okuyama, M, Mori, H.
登録日2024-10-07
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of transglucosylation in dextran dextrinase, a homolog of anomer-inverting GH15 glucoside hydrolases.
J.Biol.Chem., 301, 2025
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-04
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5EM7
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BU of 5em7 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-11-05
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
5ERG
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BU of 5erg by Molmil
Crystal structure of the two-subunit tRNA m1A58 methyltransferase TRM6-TRM61 in complex with SAM
分子名称: S-ADENOSYLMETHIONINE, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6
著者Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X.
登録日2015-11-14
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
5EGC
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BU of 5egc by Molmil
Structure of the Adeno-Associated Virus Serotype 1 sialic acid complex
分子名称: Capsid protein, MAGNESIUM ION, N-acetyl-alpha-neuraminic acid
著者Huang, L.Y, Agbandje-McKenna, M.
登録日2015-10-27
公開日2016-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Characterization of the Adeno-Associated Virus 1 and 6 Sialic Acid Binding Site.
J.Virol., 90, 2016

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