8P9I
 
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P5F
 | | Human wild-type GAPDH,orthorhombic form | | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Samygina, V.R, Muronetz, V.I, Schmalhausen, E.V. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | S-nitrosylation and S-glutathionylation of GAPDH: Similarities, differences, and relationships.
Biochim Biophys Acta Gen Subj, 1867, 2023
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8P9J
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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2IU3
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2006-05-27 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
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5E3B
 | | Structure of macrodomain protein from Streptomyces coelicolor | | Descriptor: | 1,2-ETHANEDIOL, Macrodomain protein, SODIUM ION | | Authors: | Lalic, J, Posavec Marjanovic, M, Perina, D, Sabljic, I, Zaja, R, Plese, B, Imesek, M, Bucca, G, Ahel, M, Cetkovic, H, Luic, M, Mikoc, A, Ahel, I. | | Deposit date: | 2015-10-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Disruption of Macrodomain Protein SCO6735 Increases Antibiotic Production in Streptomyces coelicolor.
J.Biol.Chem., 291, 2016
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2IU0
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2006-05-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
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8P3V
 | | Homomeric GluA1 in tandem with TARP gamma-3, desensitized conformation 3 | | Descriptor: | Glutamate receptor 1 flip isoform, Voltage-dependent calcium channel gamma-3 subunit | | Authors: | Zhang, D, Krieger, J.M, Yamashita, K, Greger, I.H. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8P3U
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1FD8
 | | SOLUTION STRUCTURE OF THE CU(I) FORM OF THE YEAST METALLOCHAPERONE, ATX1 | | Descriptor: | ATX1 COPPER CHAPERONE, COPPER (I) ION | | Authors: | Arnesano, F, Banci, L, Bertini, I, Huffman, D.L, O'Halloran, T.V. | | Deposit date: | 2000-07-20 | | Release date: | 2001-03-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Cu(I) and apo forms of the yeast metallochaperone, Atx1.
Biochemistry, 40, 2001
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1RT6
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 | | Descriptor: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | | Deposit date: | 1998-07-29 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
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1RT7
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 | | Descriptor: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | | Deposit date: | 1998-07-29 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
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1RT4
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | | Deposit date: | 1998-07-29 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
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1RT5
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 | | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION | | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | | Deposit date: | 1998-07-29 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
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5EW2
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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5EXK
 | | Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate | | Descriptor: | 5'-DEOXYADENOSINE, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | | Deposit date: | 2015-11-23 | | Release date: | 2016-08-10 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1Y19
 | | Structural basis for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions | | Descriptor: | Phosphatidylinositol-4-phosphate 5-kinase, type 1 gamma, Talin 1 | | Authors: | de Pereda, J.M, Wegener, K, Santelli, E, Bate, N, Ginsberg, M.H, Critchley, D.R, Campbell, I.D, Liddington, R.C. | | Deposit date: | 2004-11-17 | | Release date: | 2005-01-04 | | Last modified: | 2016-11-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural bases for phosphatidylinositol phosphate kinase type I-gamma binding to talin at focal adhesions
J.Biol.Chem., 280, 2005
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7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-11-17 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQW
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | | Descriptor: | Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-11-17 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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1FBR
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7KN6
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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7KN7
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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7KQO
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3FOM
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide IQQSIERL | | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
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1Y04
 | | Solution structure of a recombinant type I sculpin antifreeze protein | | Descriptor: | Antifreeze peptide SS-3 | | Authors: | Kwan, A.H.Y, Fairley, K, Anderberg, P.I, Liew, C.W, Harding, M.M, Mackay, J.P. | | Deposit date: | 2004-11-14 | | Release date: | 2005-03-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a recombinant type I sculpin antifreeze protein
Biochemistry, 44, 2005
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1GJE
 | | Peptide Antagonist of IGFBP-1, Minimized Average Structure | | Descriptor: | IGFBP-1 antagonist | | Authors: | Lowman, H.B, Chen, Y.M, Skelton, N.J, Mortensen, D.L, Tomlinson, E.E, Sadick, M.D, Robinson, I.C, Clark, R.G. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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