7BIW
 
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 | | Descriptor: | 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-01-13 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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1FGO
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7BJB
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 | | Descriptor: | 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-01-14 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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2ANZ
 | | cytochrome c peroxidase in complex with 2,6-diaminopyridine | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-11 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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1FAH
 | | STRUCTURE OF CYTOCHROME P450 | | Descriptor: | CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, H.Y, Poulos, T.L. | | Deposit date: | 1996-08-01 | | Release date: | 1997-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
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7R70
 | | Crystal Structure of the UbArk2C fusion protein | | Descriptor: | GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION | | Authors: | Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L. | | Deposit date: | 2021-06-24 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
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1XS9
 | | A MODEL OF THE TERNARY COMPLEX FORMED BETWEEN MARA, THE ALPHA-CTD OF RNA POLYMERASE AND DNA | | Descriptor: | 5'-D(P*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP*C)-3', 5'-D(P*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP*T)-3', DNA-directed RNA polymerase alpha chain, ... | | Authors: | Dangi, B, Gronenborn, A.M, Rosner, J.L, Martin, R.G. | | Deposit date: | 2004-10-18 | | Release date: | 2004-10-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Versatility of the carboxy-terminal domain of the alpha subunit of RNA polymerase in transcriptional activation: use of the DNA contact site as a protein contact site for MarA.
Mol.Microbiol., 54, 2004
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2AS3
 | | cytochrome c peroxidase in complex with phenol | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PHENOL, ... | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-08-22 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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1FLG
 | | CRYSTAL STRUCTURE OF THE QUINOPROTEIN ETHANOL DEHYDROGENASE FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | CALCIUM ION, PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE), PYRROLOQUINOLINE QUINONE | | Authors: | Keitel, T, Diehl, A, Knaute, T, Stezowski, J.J, Hohne, W, Gorisch, H. | | Deposit date: | 2000-08-14 | | Release date: | 2000-08-30 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of the quinoprotein ethanol dehydrogenase from Pseudomonas aeruginosa: basis of substrate specificity.
J.Mol.Biol., 297, 2000
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1JAY
 | | Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO) with its substrates bound | | Descriptor: | COENZYME F420, Coenzyme F420H2:NADP+ Oxidoreductase (FNO), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Warkentin, E, Mamat, B, Thauer, R, Ermler, U, Shima, S. | | Deposit date: | 2001-06-01 | | Release date: | 2001-12-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound.
EMBO J., 20, 2001
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7R71
 | | Crystal Structure of the UbArk2C-UbcH5b~Ub complex | | Descriptor: | Ubiquitin, Ubiquitin,E3 ubiquitin-protein ligase RNF165, Ubiquitin-conjugating enzyme E2 D2, ... | | Authors: | Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L. | | Deposit date: | 2021-06-24 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
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2ATW
 | | Structure of a Mycobacterium tuberculosis NusA-RNA complex | | Descriptor: | Transcription elongation protein nusA, ribosomal RNA (5'- AGAACUCAAUAG -3') | | Authors: | Beuth, B, Pennell, S, Arnvig, K.B, Martin, S.R, Taylor, I.A. | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of a Mycobacterium tuberculosis NusA-RNA complex.
Embo J., 24, 2005
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4MT7
 | | Crystal structure of collybistin I | | Descriptor: | Rho guanine nucleotide exchange factor 9 | | Authors: | Schneeberger, D, Schindelin, H. | | Deposit date: | 2013-09-19 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A conformational switch in collybistin determines the differentiation of inhibitory postsynapses.
Embo J., 33, 2014
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1JDJ
 | | CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE | | Descriptor: | 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE | | Authors: | Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-06-14 | | Release date: | 2002-06-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
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3JTL
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7VR0
 | | Human Serum Albumin | | Descriptor: | Serum albumin | | Authors: | Xiang, W, Yue, Z.L, Su, J.Y. | | Deposit date: | 2021-10-21 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Human Serum Albumin
To Be Published
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4MVX
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4MWC
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) | | Descriptor: | 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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1GB2
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-06-26 | | Release date: | 2000-07-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
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4MVY
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.314 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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1GB9
 | | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2000-06-26 | | Release date: | 2000-07-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000
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3ANG
 | | Crystal structure of Thermus thermophilus FadR in complex with E. coli-derived dodecyl-CoA | | Descriptor: | DODECYL-COA, Transcriptional repressor, TetR family | | Authors: | Agari, Y, Sakamoto, K, Agari, K, Kuramitsu, S, Shinkai, A. | | Deposit date: | 2010-09-01 | | Release date: | 2011-03-09 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
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1FZ2
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4RQ7
 | | Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 1hr | | Descriptor: | ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Vyas, R, Reed, A.J, Suo, Z. | | Deposit date: | 2014-10-31 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
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3A8K
 | | Crystal Structure of ETD97N-EHred complex | | Descriptor: | Aminomethyltransferase, Glycine cleavage system H protein | | Authors: | Okamura-Ikeda, K, Hosaka, H. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
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