3RLJ
 
 | | Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22 | | Descriptor: | (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor | | Authors: | Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D. | | Deposit date: | 2011-04-19 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
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4GW0
 | | Crystal structure of arginine kinase in complex with imino-L-ornithine, MgADP, and nitrate. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, MAGNESIUM ION, ... | | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
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1ONX
 | | Crystal structure of isoaspartyl dipeptidase from escherichia coli complexed with aspartate | | Descriptor: | ASPARTIC ACID, Isoaspartyl dipeptidase, ZINC ION | | Authors: | Thoden, J.B, Marti-Arbona, R, Raushel, F.M, Holden, H.M. | | Deposit date: | 2003-03-02 | | Release date: | 2003-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Resolution X-ray Structure of Isoaspartyl
Dipeptidase from Escherichia coli
Biochemistry, 42, 2003
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2ROY
 | | TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH 3',5'-DINITRO-N-ACETYL-L-THYRONINE | | Descriptor: | 3',5'-DINITRO-N-ACETYL-L-THYRONINE, TRANSTHYRETIN | | Authors: | Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W. | | Deposit date: | 1996-10-23 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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4GVY
 | | Crystal structure of arginine kinase in complex with L-citrulline and MgADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, CITRULLINE, ... | | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
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2HGS
 | | HUMAN GLUTATHIONE SYNTHETASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUTATHIONE, MAGNESIUM ION, ... | | Authors: | Polekhina, G, Board, P, Rossjohn, J, Parker, M.W. | | Deposit date: | 1999-01-04 | | Release date: | 1999-06-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis of glutathione synthetase deficiency and a rare gene permutation event.
EMBO J., 18, 1999
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5PH4
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09597a | | Descriptor: | 1,2-ETHANEDIOL, 6-methylpyridine-3-carboxamide, Lysine-specific demethylase 4D, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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3KAG
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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8RO2
 | | Integrative Structure of the human intron lariat Spliceosome (ILS'') | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX15, CWF19-like protein 1, ... | | Authors: | Rothe, P, Vorlaender, M.K, Plaschka, C. | | Deposit date: | 2024-01-11 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
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3GWS
 | | Crystal Structure of T3-Bound Thyroid Hormone Receptor | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta | | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P. | | Deposit date: | 2009-04-01 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function
J.Mol.Biol., 360, 2006
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3KCE
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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1I6M
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7BY6
 | | Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | | Descriptor: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | | Deposit date: | 2020-04-21 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
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3S3I
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2011-05-18 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5E5E
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6CJJ
 | | Candida albicans Hsp90 nucleotide binding domain in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ... | | Authors: | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-26 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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3DD2
 | | Crystal structure of an RNA aptamer bound to human thrombin | | Descriptor: | ACETIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Long, S.B, Sullenger, B.A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an RNA aptamer bound to thrombin.
Rna, 14, 2008
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3O6T
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6QPJ
 | | Human CLOCK PAS-A domain | | Descriptor: | Circadian locomoter output cycles protein kaput | | Authors: | Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J. | | Deposit date: | 2019-02-14 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | Heme binding to human CLOCK affects interactions with the E-box.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2DVO
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3KOV
 | | Structure of MEF2A bound to DNA reveals a completely folded MADS-box/MEF2 domain that recognizes DNA and recruits transcription co-factors | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte-specific enhancer factor 2A | | Authors: | Wu, Y, Dey, R, Han, A, Jayathilaka, N, Philips, M, Ye, J, Chen, L. | | Deposit date: | 2009-11-14 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the MADS-box/MEF2 Domain of MEF2A Bound to DNA and Its Implication for Myocardin Recruitment.
J.Mol.Biol., 397, 2010
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2VDT
 | | Crystallographic structure of Levansucrase from Bacillus subtilis mutant S164A | | Descriptor: | CALCIUM ION, LEVANSUCRASE | | Authors: | Ortiz-Soto, M.E, Rivera, M, Rudino-Pinera, E, Olvera, C, Lopez-Munguia, A. | | Deposit date: | 2007-10-11 | | Release date: | 2008-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Selected Mutations in Bacillus Subtilis Levansucrase Semi-Conserved Regions Affecting its Biochemical Properties
Protein Eng.Des.Sel., 21, 2008
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6KZU
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8IMR
 | | Structure of ligand-free human macrophage migration inhibitory factor | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | | Authors: | Sugishima, K, Noguchi, K, Yohda, M, Odaka, M, Matsumura, H. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Identification of methotrexate as an inhibitor of macrophage migration inhibitory factor by high-resolution crystal structure analysis
To Be Published
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7FJH
 | | LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1) | | Descriptor: | CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin | | Authors: | Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C. | | Deposit date: | 2021-08-04 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Targeting undruggable carbohydrate recognition sites through focused fragment library design.
Commun Chem, 5, 2022
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