6G8W
 
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5KOH
 | | Nitrogenase MoFeP from Gluconacetobacter diazotrophicus in dithionite reduced state | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Owens, C.P, Tezcan, F.A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
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6BGW
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6Z8N
 | | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist SRI-9829 | | Descriptor: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1) | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-06-02 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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6QYF
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6FX3
 | | crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin | | Authors: | Cabanettes, A, Varrot, A. | | Deposit date: | 2018-03-08 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6ZIX
 | | Structure of RcsB from Salmonella enterica serovar Typhimurium bound to promoter P1flhDC in the presence of phosphomimetic BeF3- | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P1flhDC promoter sequence of 23 bp, ... | | Authors: | Huesa, J, Marina, A, Casino, P. | | Deposit date: | 2020-06-26 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon.
Nucleic Acids Res., 49, 2021
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6Z4S
 | | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692 | | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-05-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.707 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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6Z66
 | | Crystal structure of apo-state neurotensin receptor 1 | | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-05-27 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.192 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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6ZIL
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6ZA8
 | | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a | | Descriptor: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1),Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1) | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-06-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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6R0E
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2JED
 | | The crystal structure of the kinase domain of the protein kinase C theta in complex with NVP-XAA228 at 2.32A resolution. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, PROTEIN KINASE C THETA | | Authors: | Stark, W, Bitsch, F, Berner, A, Buelens, F, Graff, P, Depersin, H, Geiser, M, Knecht, R, Rahuel, J, Rummel, G, Schlaeppi, J.M, Schmitz, R, Strauss, A, Wagner, J. | | Deposit date: | 2007-01-16 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228
To be Published
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6G6K
 | | The crystal structures of Human MYC:MAX bHLHZip complex | | Descriptor: | CHLORIDE ION, Myc proto-oncogene protein, Protein max | | Authors: | Allen, M.D, Zinzalla, G. | | Deposit date: | 2018-04-01 | | Release date: | 2019-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA.
Biochemistry, 58, 2019
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2JF1
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6ZJ2
 | | Structure of RcsB from Salmonella enterica serovar Typhimurium bound to promoter rprA in the presence of phosphomimetic BeF3- | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (5'-D(P*CP*CP*GP*AP*TP*CP*AP*GP*AP*TP*TP*CP*GP*TP*CP*TP*CP*AP*AP*TP*AP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Huesa, J, Marina, A, Casino, P. | | Deposit date: | 2020-06-27 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon.
Nucleic Acids Res., 49, 2021
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2JSM
 | | MONOMERIC HUMAN TELOMERE DNA TETRAPLEX WITH 3+1 STRAND FOLD TOPOLOGY, TWO EDGEWISE LOOPS AND DOUBLE-CHAIN REVERSAL LOOP, NMR, 10 STRUCTURES, Form 1 Natural | | Descriptor: | HUMAN TELOMERE DNA | | Authors: | Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J. | | Deposit date: | 2007-07-09 | | Release date: | 2008-07-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution
Nucleic Acids Res., 35, 2007
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6ZII
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8B8X
 | | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-10-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
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6G02
 | | Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2018-03-15 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
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8VYL
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6ZCL
 | | Coxsackievirus B3 in complex with capsid binder compound 17 | | Descriptor: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, MYRISTIC ACID, capsid protein VP1, ... | | Authors: | Domanska, A, Flatt, J.W, Butcher, S.J. | | Deposit date: | 2020-06-11 | | Release date: | 2021-03-17 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
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6GC1
 | | Crystal structure of Trx-like and NHL repeat containing domains of human NHLRC2 | | Descriptor: | NHL repeat-containing protein 2 | | Authors: | Biterova, E, Uusimaa, J, Hinttala, R, Ruddock, L.W. | | Deposit date: | 2018-04-16 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease.
PLoS ONE, 13, 2018
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6BH4
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48) | | Descriptor: | 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6YUR
 | | Crystal structure of S. aureus FabI inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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