6VZB
 
 | | Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | 著者 | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | 登録日 | 2020-02-28 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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8YQ3
 | | Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase | | 著者 | Qiang, G, Zheng, Y.C, Feng, L, Yu, H.L. | | 登録日 | 2024-03-19 | | 公開日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Loop Engineering Facilitates the Nicotinamide Cofactors Utilization of BVMOs
To Be Published
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4WN2
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6VVT
 | | Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin | | 分子名称: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | | 登録日 | 2020-02-18 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | | 主引用文献 | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W4Z
 | | Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ... | | 著者 | Patel, B, Kishor, C, Blanchard, H. | | 登録日 | 2020-03-12 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
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7S80
 | | Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein | | 分子名称: | 1,2-ETHANEDIOL, MALONATE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein | | 著者 | Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C. | | 登録日 | 2021-09-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure, Function, and Application of Bacterial ABC Transporters
Ph.D.Thesis,California Institute of Technology, 2020
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8GV2
 | | Crystal structure of anti-FX IgG fab without FAST-Ig mutations | | 分子名称: | 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain | | 著者 | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | | 登録日 | 2022-09-14 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.274 Å) | | 主引用文献 | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
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4WF9
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with telithromycin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | | 登録日 | 2014-09-14 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.427 Å) | | 主引用文献 | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8TGA
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263D
 | | ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX | | 分子名称: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | | 著者 | Clark, G.R, Gray, E.J, Neidle, S, Li, Y.-H, Leupin, W. | | 登録日 | 1996-09-27 | | 公開日 | 1996-10-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
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4WVF
 | | Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 | | 分子名称: | (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Sun, Q, Chook, Y. | | 登録日 | 2014-11-05 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
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6VUZ
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 | | 分子名称: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2020-02-16 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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8OUG
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6W6D
 | | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | | 分子名称: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-16 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
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6MSA
 | | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | | 分子名称: | 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | | 著者 | Jakob, C.G. | | 登録日 | 2018-10-16 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
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8SA2
 | | Adenosylcobalamin-bound riboswitch dimer, form 1 | | 分子名称: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | | 著者 | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | 登録日 | 2023-03-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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6N3N
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | 登録日 | 2018-11-15 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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7ATL
 | | EstCE1, a hydrolase with promiscuous acyltransferase activity | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... | | 著者 | Palm, G.J, Lammers, M, Berndt, L. | | 登録日 | 2020-10-30 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.478 Å) | | 主引用文献 | Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4WMI
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8J1G
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8J1C
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7UNH
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7Q6U
 | | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | | 分子名称: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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7OHV
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336D
 | | INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | | 著者 | Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I. | | 登録日 | 1997-06-24 | | 公開日 | 1998-04-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex.
FEBS Lett., 398, 1996
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