4ZBD
 
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5AD2
 | | Bivalent binding to BET bromodomains | | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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5AGU
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ... | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.173 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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5A2V
 | | Crystal structure of mtPAP in Apo form | | Descriptor: | CHLORIDE ION, MITOCHONDRIAL PROTEIN | | Authors: | Lapkouski, M, Hallberg, B.M. | | Deposit date: | 2015-05-26 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Nucleic Acids Res., 43, 2015
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4ZS7
 | | Structural mimicry of receptor interaction by antagonistic IL-6 antibodies | | Descriptor: | Interleukin-6, Llama Fab fragment 68F2 heavy chain, Llama Fab fragment 68F2 light chain | | Authors: | Blanchetot, C, De Jonge, N, Desmyter, A, Ongenae, N, Hofman, E, Klarenbeek, A, Sadi, A, Hultberg, A, Kretz-Rommel, A, Spinelli, S, Loris, R, Cambillau, C, de Haard, H. | | Deposit date: | 2015-05-13 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structural Mimicry of Receptor Interaction by Antagonistic Interleukin-6 (IL-6) Antibodies.
J.Biol.Chem., 291, 2016
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5AEZ
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7R5Z
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5A09
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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7R0H
 | | STRUCTURAL BASIS OF ION UPTAKE IN COPPER-TRANSPORTING P1B-TYPE ATPASES | | Descriptor: | COPPER (II) ION, Putative copper-exporting P-type ATPase A | | Authors: | Salustros, N, Groenberg, C, Wang, K, Gourdon, P. | | Deposit date: | 2022-02-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structural basis of ion uptake in copper-transporting P 1B -type ATPases.
Nat Commun, 13, 2022
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7R0I
 | | STRUCTURAL BASIS OF ION UPTAKE IN COPPER-TRANSPORTING P1B-TYPE ATPASES | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Putative copper-exporting P-type ATPase A | | Authors: | Salustros, N, Groenberg, C, Wang, K, Gourdon, P. | | Deposit date: | 2022-02-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of ion uptake in copper-transporting P 1B -type ATPases.
Nat Commun, 13, 2022
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5EU8
 | | Structure of FIPV main protease in complex with dual inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ... | | Authors: | Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H. | | Deposit date: | 2015-11-18 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
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7R0G
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4Z0X
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5D5X
 | | Crystal structure of Chaetomium thermophilum Skn7 with SSRE DNA | | Descriptor: | Putative transcription factor, SSRE DNA strand 1, SSRE DNA strand 2 | | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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7RK5
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7RK4
 | | Mannitol-2-dehydrogenase from Aspergillus fumigatus | | Descriptor: | Mannitol 2-dehydrogenase | | Authors: | Nguyen, S, Bruning, J.B. | | Deposit date: | 2021-07-22 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase
To Be Published
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4ZB6
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5A2X
 | | Crystal structure of mtPAP in complex with CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN | | Authors: | Lapkouski, M, Hallberg, B.M. | | Deposit date: | 2015-05-26 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Nucleic Acids Res., 43, 2015
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4YFK
 | | Escherichia coli RNA polymerase in complex with squaramide compound 8. | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.571 Å) | | Cite: | 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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5D5Y
 | | Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form I | | Descriptor: | Putative transcription factor | | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-12-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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5DB5
 | | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, CYSTEINE, ... | | Authors: | Arbing, M.A, Shin, A, Koo, C.W, Medrano-Soto, A, Eisenberg, D. | | Deposit date: | 2015-08-20 | | Release date: | 2016-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
To Be Published
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5D5V
 | | Crystal structure of human Hsf1 with Satellite III repeat DNA | | Descriptor: | DNA, Heat shock factor protein 1, MAGNESIUM ION | | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
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4Z80
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5DEA
 | | Crystal structure of the complex between human FMRP RGG motif and G-quadruplex RNA, cesium bound form. | | Descriptor: | CESIUM ION, Fragile X mental retardation protein 1, POTASSIUM ION, ... | | Authors: | Vasilyev, N, Polonskaia, A, Darnell, J.C, Darnell, R.B, Patel, D.J, Serganov, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7973 Å) | | Cite: | Crystal structure reveals specific recognition of a G-quadruplex RNA by a beta-turn in the RGG motif of FMRP.
Proc.Natl.Acad.Sci.USA, 112, 2015
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