6OQX
 
 | | Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator | | Descriptor: | (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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4XYK
 | | Crystal structure of human phosphofructokinase-1 in complex with ADP, Northeast Structural Genomics Consortium Target HR9275 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ... | | Authors: | Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-02-02 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations.
Nature, 523, 2015
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6OR1
 | | Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator | | Descriptor: | N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
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5TLM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol | | Descriptor: | 4,4',4''-(thiene-2,3,5-triyl)triphenol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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6I00
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4QL5
 | | Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4 | | Descriptor: | ACETATE ION, GLYCEROL, Translation initiation factor IF-1, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-06-10 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | Crystal structure of translation initiation factor IF-1 from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
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6B00
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6OS1
 | | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Nanobody Nb.AT110i1_le, ... | | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
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7Q7N
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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5JAM
 | | Yersinia pestis FabV variant T276V | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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2NC4
 | | Solution Structure of N-Galactosylated Pin1 WW Domain | | Descriptor: | Pin1 WW Domain, beta-D-galactopyranose | | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | | Deposit date: | 2016-03-20 | | Release date: | 2016-06-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
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7Q7H
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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6YSI
 | | Acinetobacter baumannii ribosome-tigecycline complex - 50S subunit | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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5CBY
 | | AncGR2 DNA Binding Domain - (+)GRE Complex | | Descriptor: | AncGR2 DNA Binding Domain, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), ... | | Authors: | Hudson, W.H, Ortlund, E.A. | | Deposit date: | 2015-07-01 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7Q7M
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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6ROP
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6HN9
 | | Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain | | Descriptor: | Nicomicin-1 | | Authors: | Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V. | | Deposit date: | 2018-09-14 | | Release date: | 2018-11-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain.
Mar Drugs, 16, 2018
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8D0W
 | | Human FUT9 bound to H-Type 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.332 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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8D0X
 | | Human FUT9 bound to LNnT | | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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5FFQ
 | | ChuY: An Anaerobillin Reductase from Escherichia coli O157:H7 | | Descriptor: | 1,4-BUTANEDIOL, PHOSPHATE ION, ShuY-like protein | | Authors: | LaMattina, J.W, Reedy, A.N, Uy, K.G, Lanzilotta, W.N. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Radical new paradigm for heme degradation in Escherichia coli O157:H7.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8D0P
 | | Human FUT9, unliganded | | Descriptor: | 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, SULFATE ION, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
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3L41
 | | Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A | | Descriptor: | BRCT-containing protein 1, phosphorylated H2A tail | | Authors: | Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | gammaH2A binds Brc1 to maintain genome integrity during S-phase.
Embo J., 29, 2010
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7LRI
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | | Descriptor: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | | Deposit date: | 2021-02-16 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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5FG5
 | | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | | Descriptor: | NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
To Be Published
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7Q7G
 | | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 30 MPa helium gas pressure in a sapphire capillary | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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