6Y24
 
 | | Crystal structure of fourth KH domain of FUBP1 | | Descriptor: | 1,2-ETHANEDIOL, Far upstream element-binding protein 1 | | Authors: | Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-14 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
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7NCU
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7NCE
 | | Glutathione-S-transferase GliG mutant N27A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-28 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6R6I
 | | Crystal structure of transthyretin mutant A25T in complex with CHF5074, a flurbiprofen analogue | | Descriptor: | 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, PHOSPHATE ION, Transthyretin | | Authors: | Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G. | | Deposit date: | 2019-03-27 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.467 Å) | | Cite: | Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
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6XKT
 | | R. capsulatus cyt bc1 with both FeS proteins in c position (CIII2 c-c) | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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7BUG
 | | Reduced oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, CARBONATE ION, ... | | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reduced oxygenase of carbazole 1,9a-dioxygenase
To Be Published
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7NC8
 | | Glutathione-S-transferase GliG mutant S24A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-28 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7SCR
 | | Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | Descriptor: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | Authors: | Guddat, L.W, Keough, D.T. | | Deposit date: | 2021-09-29 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12068486 Å) | | Cite: | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
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7S4X
 | | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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7NC5
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7NCN
 | | Glutathione-S-transferase GliG mutant S83A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6R9U
 | | Human Cyclophilin D in complex with fragment | | Descriptor: | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | | Authors: | Graedler, U. | | Deposit date: | 2019-04-04 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
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5D15
 | | Crystal structure of an adenylyl cyclase Ma1120 from Mycobacterium avium in complex with ATP and calcium ion | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Bharambe, N.G, Barathy, D.V, Suguna, K. | | Deposit date: | 2015-08-03 | | Release date: | 2016-08-10 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate specificity determinants of class III nucleotidyl cyclases
Febs J., 283, 2016
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8XSF
 | | SARS-CoV-2 RBD + IMCAS-364 + hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.16 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8XSI
 | | SARS-CoV-2 RBD + IMCAS-364 (Local Refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-364 H chain, IMCAS-364 L chain, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8XSE
 | | SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8QNX
 | | OPR3 variant with redesigned loop 6 (8aa) in complex with NADH4 | | Descriptor: | 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | | Deposit date: | 2023-09-27 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
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5HDJ
 | | Structure of B. megaterium NfrA1 | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NfrA1 | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2016-01-05 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Functional and structural characterization of two Bacillus megaterium nitroreductases biotransforming the herbicide mesotrione.
Biochem.J., 473, 2016
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8QJ1
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6Z57
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078
To Be Published
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7SL1
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8ZTO
 | | Cryo-EM structure of the human XPR1 | | Descriptor: | PHOSPHATE ION, Solute carrier family 53 member 1, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate | | Authors: | She, J, Chen, L. | | Deposit date: | 2024-06-07 | | Release date: | 2025-04-09 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structure and function of human XPR1 in phosphate export.
Nat Commun, 16, 2025
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9B88
 | | Anti-OspC Fab 8C1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Heavy Chain of monoclonal 8C1 Fab, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2024-03-29 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure of anti-OspC Fab 8C1.
To Be Published
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6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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9AYD
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