6NNC
 
 | | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | | 分子名称: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | 登録日 | 2019-01-14 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6NTB
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371D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | 登録日 | 1997-12-19 | | 公開日 | 1998-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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399D
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5FUQ
 | | CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL | | 分子名称: | ACETATE ION, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Gavira, J.A, Medina-Carmona, E, Pey, A.L. | | 登録日 | 2016-01-29 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution.
Hum.Mol.Genet., 26, 2017
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370D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3'), MAGNESIUM ION | | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | 登録日 | 1997-12-19 | | 公開日 | 1998-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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392D
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | 分子名称: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | 著者 | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | 登録日 | 1998-04-20 | | 公開日 | 1998-05-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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5FOZ
 | | De novo structure of the binary mosquito larvicide BinAB at pH 10 | | 分子名称: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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5G0U
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FQQ
 | | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | | 登録日 | 2015-12-14 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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369D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | 分子名称: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | | 著者 | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | 登録日 | 1997-12-19 | | 公開日 | 1998-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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6NNH
 | | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | | 著者 | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | | 登録日 | 2019-01-15 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6NY3
 | | CasX ternary complex with 30bp target DNA | | 分子名称: | CasX, DNA Non-target strand, DNA target strand, ... | | 著者 | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | | 登録日 | 2019-02-10 | | 公開日 | 2019-02-27 | | 最終更新日 | 2019-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
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5FV7
 | | Human Fen1 in complex with an N-hydroxyurea compound | | 分子名称: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, FLAP ENDONUCLEASE 1, MAGNESIUM ION | | 著者 | Exell, J.C, Thompson, M.J, Finger, L.D, Shaw, S.K, Abbott, W.M, McWhirter, C, Debreczeni, J.E, Jones, C.D, Nissink, J.W.M, Ward, T.A, Sioberg, C.W.L, Molina, D.M, Durant, S.T, Grasby, J.A. | | 登録日 | 2016-02-03 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Cellular Active N-Hydroxyurea Fen1 Inhibitors Block Substrate Entry to the Active Site
Nat.Chem.Biol., 12, 2016
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2EFW
 | | Crystal structure of the RTP:nRB complex from Bacillus subtilis | | 分子名称: | DNA (5'-D(*DCP*DT*DAP*DTP*DGP*DTP*DAP*DCP*DCP*DAP*DAP*DAP*DTP*DGP*DTP*DTP*DCP*DAP*DGP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DCP*DTP*DGP*DAP*DAP*DCP*DAP*DTP*DTP*DTP*DGP*DGP*DTP*DAP*DCP*DAP*DTP*DAP*DG)-3'), Replication termination protein | | 著者 | Vivian, J.P, Porter, C.J, Wilce, J.A, Wilce, M.C.J. | | 登録日 | 2007-02-26 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An asymmetric structure of the Bacillus subtilis replication terminator protein in complex with DNA
J.Mol.Biol., 370, 2007
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5G1M
 | | Crystal structure of NagZ from Pseudomonas aeruginosa | | 分子名称: | ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ... | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-03-28 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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5G2M
 | | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-04-09 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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5GAI
 | | Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike proteins | | 分子名称: | Peptidoglycan hydrolase gp4, Portal protein, Tail fiber protein | | 著者 | Pintilie, G, Chen, D.H, Haase-Pettingell, C.A, King, J.A, Chiu, W. | | 登録日 | 2015-12-01 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (10.5 Å) | | 主引用文献 | Resolution and Probabilistic Models of Components in CryoEM Maps of Mature P22 Bacteriophage.
Biophys.J., 110, 2016
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6O12
 | | E. coli cysteine desulfurase SufS H123A | | 分子名称: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Dunkle, J.A, Frantom, P.A. | | 登録日 | 2019-02-17 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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6NUQ
 | | Stat3 Core in complex with compound SI109 | | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2019-02-01 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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5G3O
 | | Bacillus cereus formamidase (BceAmiF) inhibited with urea. | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M. | | 登録日 | 2016-04-29 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
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6NY2
 | | CasX-gRNA-DNA(45bp) state I | | 分子名称: | CasX, DNA Non-target strand, DNA target strand, ... | | 著者 | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | | 登録日 | 2019-02-10 | | 公開日 | 2019-02-27 | | 最終更新日 | 2019-12-25 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
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5GNB
 | | Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | | 登録日 | 2016-07-20 | | 公開日 | 2017-06-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
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5G3R
 | | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc | | 分子名称: | 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ... | | 著者 | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | 登録日 | 2016-04-30 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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6NNI
 | | Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ... | | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | 登録日 | 2019-01-15 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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