7RA0
 
 | | LC3A in complex with Fragment 2-10 | | 分子名称: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | 著者 | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | 登録日 | 2021-06-29 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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5HR1
 | | Crystal structure of thioredoxin L107A mutant | | 分子名称: | COPPER (II) ION, Thioredoxin-1 | | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | 登録日 | 2016-01-22 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.144 Å) | | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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1AIZ
 | | STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION | | 分子名称: | AZURIN, CADMIUM ION, SULFATE ION | | 著者 | Baker, E.N, Anderson, B.F, Blackwell, K.A. | | 登録日 | 1993-11-11 | | 公開日 | 1994-01-31 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
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5GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE | | 著者 | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | 登録日 | 1997-02-12 | | 公開日 | 1997-08-12 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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4YBI
 | | Crystal structure of BACE with amino thiazine inhibitor LY2811376 | | 分子名称: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL | | 著者 | Timm, D.E. | | 登録日 | 2015-02-18 | | 公開日 | 2015-04-01 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
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4YFK
 | | Escherichia coli RNA polymerase in complex with squaramide compound 8. | | 分子名称: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | 登録日 | 2015-02-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.571 Å) | | 主引用文献 | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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5LRE
 | | Crystal structure of Glycogen Phosphorylase b in complex with KS382 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-08-18 | | 公開日 | 2017-05-31 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur J Med Chem, 123, 2016
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7P2X
 | | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | | 分子名称: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
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5LQF
 | | CDK1/CyclinB1/CKS2 in complex with NU6102 | | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | 著者 | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | | 登録日 | 2016-08-17 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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7P5D
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 and 319 to alanine) | | 分子名称: | Variant surface glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | 登録日 | 2021-07-14 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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8R1J
 | | Structure of avian H5N1 influenza A polymerase dimer in complex with human ANP32B. | | 分子名称: | Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ... | | 著者 | Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | | 登録日 | 2023-11-02 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
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6WU6
 | | succinate-coenzyme Q reductase | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W. | | 登録日 | 2020-05-04 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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8UUP
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8G3G
 | | CryoEM structure of yeast recombination mediator Rad52 | | 分子名称: | DNA repair and recombination protein RAD52 | | 著者 | Deveryshetty, J, Basore, K, Rau, M, Fitzpatrick, J.A.J, Antony, E. | | 登録日 | 2023-02-07 | | 公開日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Yeast Rad52 is a homodecamer and possesses BRCA2-like bipartite Rad51 binding modes.
Nat Commun, 14, 2023
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8UT2
 | | Pre-fusion Measles virus fusion protein complexed with Fab 77 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zyla, D, Saphire, E.O. | | 登録日 | 2023-10-30 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
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8UUQ
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6UDM
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8G4Z
 | | E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | 登録日 | 2023-02-10 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8G50
 | | E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | 登録日 | 2023-02-10 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8R67
 | | tubulin-cryptophycin complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ... | | 著者 | Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E. | | 登録日 | 2023-11-21 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
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8GDY
 | | Crystal structure of the human PDI first domain with 9 mutations | | 分子名称: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | | 著者 | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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6Y7F
 | | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) | | 分子名称: | CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ... | | 著者 | Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-28 | | 公開日 | 2020-05-13 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7)
TO BE PUBLISHED
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4Y81
 | | Yeast 20S proteasome in complex with Ac-PAY-ep | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAY-ep, CHLORIDE ION, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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8AYV
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | 分子名称: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Fox III, D, Fairman, J.W, Gurney, M.E. | | 登録日 | 2019-01-03 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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