6OMR
 
 | | Crystal structure of PtmU3 complexed with PTN substrate | | 分子名称: | ACETATE ION, MANGANESE (II) ION, PtmU3, ... | | 著者 | Liu, Y.C, Dong, L.B, Shen, B. | | 登録日 | 2019-04-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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6OEX
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | | 分子名称: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | 登録日 | 2019-03-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
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6OFM
 | | Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-CH3Y); ih circular permutant (50-51) | | 分子名称: | Green fluorescent protein (GFP); S65T, Y66(3-CH3Y); ih circular permutant (50-51) | | 著者 | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | 登録日 | 2019-03-31 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins.
J.Am.Chem.Soc., 141, 2019
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6OI4
 | | RPN13 (19-132)-RPN2 (940-952) pY950-Ub complex | | 分子名称: | 1,2-ETHANEDIOL, 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, ... | | 著者 | Hemmis, C.W, Hill, C.P. | | 登録日 | 2019-04-08 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Phosphorylation of Tyr-950 in the proteasome scaffolding protein RPN2 modulates its interaction with the ubiquitin receptor RPN13.
J.Biol.Chem., 294, 2019
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1C52
 | | THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING | | 分子名称: | CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T. | | 登録日 | 1997-06-23 | | 公開日 | 1998-06-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.
J.Mol.Biol., 271, 1997
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6OY1
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-26 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-05-14 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6O6Q
 | | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans | | 分子名称: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Casein kinase 2 catalytic subunit, ... | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-03-07 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
To Be Published
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6OMY
 | | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-04-19 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6OBF
 | | JAK2 JH2 in complex with JAK179 | | 分子名称: | GLYCEROL, Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2019-03-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6OCC
 | | JAK2 JH2 in complex with JAK190 | | 分子名称: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2019-03-22 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6OXO
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-91 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-05-14 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OXP
 | | HIV-1 Protease NL4-3 WT in Complex with UMass3 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-05-14 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OXS
 | | HIV-1 Protease NL4-3 WT in Complex with LR-76 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | | 著者 | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-05-14 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OL4
 | | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, apo state | | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | | 登録日 | 2019-04-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6OOU
 | | Crystal structure of HIV-1 Protease NL4-3 L89V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | | 著者 | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | | 登録日 | 2019-04-23 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | | 主引用文献 | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
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6OEY
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | 登録日 | 2019-03-28 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
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6OHL
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6O56
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6O62
 | | Crystal structure of Sec4p, a Rab family GTPase from Candida albicans | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein SEC4 | | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-03-05 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | To be published
To Be Published
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6OIE
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6NOC
 | | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y) in complex with 8-nt RNA | | 分子名称: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | | 著者 | McCann, K, Wang, Y, Qiu, C, Hall, T.M.T. | | 登録日 | 2019-01-16 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.849 Å) | | 主引用文献 | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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6NOD
 | | Crystal structure of C. elegans PUF-8 in complex with RNA | | 分子名称: | PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3') | | 著者 | Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T. | | 登録日 | 2019-01-16 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.547 Å) | | 主引用文献 | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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6NAF
 | | De novo designed homo-trimeric amantadine-binding protein | | 分子名称: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | | 著者 | Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D. | | 登録日 | 2018-12-05 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION | | 主引用文献 | De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
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6NUJ
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6OPU
 | | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | 登録日 | 2019-04-25 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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