1QSA
 
 | | CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.65 ANGSTROMS RESOLUTION | | Descriptor: | ACETATE ION, GLYCEROL, PROTEIN (SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70), ... | | Authors: | van Asselt, E.J, Thunnissen, A.-M.W.H, Dijkstra, B.W. | | Deposit date: | 1999-06-20 | | Release date: | 1999-09-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment.
J.Mol.Biol., 291, 1999
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2NXQ
 | | Crystal structure of calcium binding protein 1 from Entamoeba histolytica: a novel arrangement of EF hand motifs | | Descriptor: | ACETATE ION, CALCIUM ION, Calcium-binding protein | | Authors: | Kumar, S, Padhan, N, Alam, N, Gourinath, S. | | Deposit date: | 2006-11-18 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of calcium binding protein-1 from Entamoeba histolytica: A novel arrangement of EF hand motifs.
Proteins, 68, 2007
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3MOE
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3MO0
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11 | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3MOD
 | | Crystal structure of the neutralizing HIV antibody 2F5 Fab fragment (recombinantly produced IgG) with 11 aa gp41 MPER-derived peptide | | Descriptor: | ANTI-HIV-1 ANTIBODY 2F5 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN, gp41 MPER-derived peptide | | Authors: | Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F. | | Deposit date: | 2010-04-22 | | Release date: | 2010-11-17 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies
To be Published
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7FS3
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 15 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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2O0B
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5E24
 | | Structure of the Su(H)-Hairless-DNA Repressor Complex | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ... | | Authors: | Kovall, R.A, Yuan, Z. | | Deposit date: | 2015-09-30 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure and Function of the Su(H)-Hairless Repressor Complex, the Major Antagonist of Notch Signaling in Drosophila melanogaster.
Plos Biol., 14, 2016
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4BBM
 | | CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312 | | Descriptor: | 1,2-ETHANEDIOL, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ... | | Authors: | Canning, P, Elkins, J.M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | | Deposit date: | 2012-09-26 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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1VMG
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6RUA
 | | Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P. | | Deposit date: | 2019-05-27 | | Release date: | 2020-01-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
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1L8G
 | | Crystal structure of PTP1B complexed with 7-(1,1-Dioxo-1H-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid | | Descriptor: | 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | | Authors: | Iversen, L.F, Andersen, H.S, Moller, K.B, Olsen, O.H, Peters, G.H, Branner, S, Mortensen, S.B, Hansen, T.K, Lau, J, Ge, Y, Holsworth, D.D, Newman, M.J, Moller, N.P.H. | | Deposit date: | 2002-03-20 | | Release date: | 2002-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Steric hindrance as a basis for structure-based design of selective inhibitors of protein-tyrosine phosphatases.
Biochemistry, 40, 2001
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4LBF
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4QD3
 | | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with 5-azacytidine at 1.89 Angstrom resolution | | Descriptor: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one, GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Singh, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-05-13 | | Release date: | 2014-06-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
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7FS9
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 22 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.721 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7AR7
 | | Cryo-EM structure of Arabidopsis thaliana complex-I (open conformation) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | Authors: | Klusch, N, Kuelbrandt, W. | | Deposit date: | 2020-10-23 | | Release date: | 2022-03-02 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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1LD8
 | | Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 49 | | Descriptor: | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI AZA-CYCLOOCTADECOSINE-9-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | | Authors: | Taylor, J.S, Terry, K.L, Beese, L.S. | | Deposit date: | 2002-04-08 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency.
J.Med.Chem., 45, 2002
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1QGW
 | | CRYSTAL STRUCTURE OF PHYCOERYTHRIN 545 FROM THE MARINE CRYPTOPHYTE RHODOMONAS CS24 | | Descriptor: | 15,16-DIHYDROBILIVERDIN, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Harrop, S.J, Wilk, K.E, Hiller, R.G, Curmi, P.M.G. | | Deposit date: | 1999-05-10 | | Release date: | 1999-05-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Evolution of a light-harvesting protein by addition of new subunits and rearrangement of conserved elements: crystal structure of a cryptophyte phycoerythrin at 1.63-A resolution.
Proc.Natl.Acad.Sci.USA, 96, 1999
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2ZQ7
 | | Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant | | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | | Authors: | Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M. | | Deposit date: | 2008-08-07 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1
To be Published
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2ABS
 | | Crystal structure of T. gondii adenosine kinase complexed with AMP-PCP | | Descriptor: | CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SODIUM ION, ... | | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | | Deposit date: | 2005-07-16 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of Toxoplasma gondii adenosine kinase in complex with an ATP analog at 1.1 angstroms resolution.
Acta Crystallogr.,Sect.D, 62, 2006
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4CHQ
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-04 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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1LBW
 | | Crystal Structure of apo-form (P32) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus | | Descriptor: | fructose 1,6-bisphosphatase/inositol monophosphatase | | Authors: | Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B. | | Deposit date: | 2002-04-04 | | Release date: | 2002-05-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
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1AAN
 | | CRYSTAL STRUCTURE ANALYSIS OF AMICYANIN AND APOAMICYANIN FROM PARACOCCUS DENITRIFICANS AT 2.0 ANGSTROMS AND 1.8 ANGSTROMS RESOLUTION | | Descriptor: | AMICYANIN, COPPER (II) ION | | Authors: | Chen, L, Durley, R.C.E, Lim, L.W, Mathews, F.S. | | Deposit date: | 1992-04-09 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure analysis of amicyanin and apoamicyanin from Paracoccus denitrificans at 2.0 A and 1.8 A resolution.
Protein Sci., 2, 1993
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5PWE
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 1) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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1L8C
 | | STRUCTURAL BASIS FOR HIF-1ALPHA/CBP RECOGNITION IN THE CELLULAR HYPOXIC RESPONSE | | Descriptor: | CREB-binding protein, Hypoxia-inducible factor 1 alpha, ZINC ION | | Authors: | Dames, S.A, Martinez-Yamout, M, De Guzman, R.N, Dyson, H.J, Wright, P.E. | | Deposit date: | 2002-03-19 | | Release date: | 2002-04-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for Hif-1 alpha /CBP recognition in the cellular hypoxic response.
Proc.Natl.Acad.Sci.USA, 99, 2002
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