1UFV
| Crystal Structure Of Pantothenate Synthetase From Thermus Thermophilus HB8 | Descriptor: | CHLORIDE ION, GLYCEROL, Pantoate-beta-alanine ligase | Authors: | Bagautdinov, B, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-10 | Release date: | 2003-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure Of Pantothenate Synthetase From Thermus Thermophilus HB8 To be Published
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6DR6
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4MR5
| Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MR3
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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6DHK
| Bovine glutamate dehydrogenase complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial | Authors: | Smith, T.J. | Deposit date: | 2018-05-20 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation. Biochemistry, 42, 2003
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3B9A
| Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | Authors: | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | Deposit date: | 2007-11-03 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism J.Struct.Biol., 162, 2008
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1BPJ
| THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 1998-08-11 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance". Biochemistry, 39, 2000
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3GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | Authors: | Oakley, A.J, Rossjohn, J, Parker, M.W. | Deposit date: | 1996-10-29 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate. Biochemistry, 36, 1997
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5JZ8
| Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | Descriptor: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-16 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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5KBM
| Candida Albicans Superoxide Dismutase 5 (SOD5), D113N Mutant | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-06-03 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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7QNV
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1YJS
| K226Q Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Glycine | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-15 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJY
| K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Serine | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJZ
| K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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2YHD
| Human androgen receptor in complex with AF2 small molecule inhibitor | Descriptor: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol, ANDROGEN RECEPTOR, SULFATE ION, ... | Authors: | AxerioCilies, P, Lack, N.A, ShashiNayana, M.R, Chan, K.H, Yeung, A, LeBlanc, E, Guns, E, Rennie, P, Cherkasov, A. | Deposit date: | 2011-04-28 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Androgen Receptor Activation Function-2 (Af2) Site Identified Through Virtual Screening. J.Med.Chem., 54, 2011
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1M0W
| Yeast Glutathione Synthase Bound to gamma-glutamyl-cysteine, AMP-PNP and 2 Magnesium Ions | Descriptor: | GAMMA-GLUTAMYLCYSTEINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Gogos, A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2002-06-14 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase Structure, 10, 2002
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3TDZ
| N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex: Structure of a human Cul1WHB-Dcn1P-stapled acetylated Ubc12N complex | Descriptor: | Cullin-1, DCN1-like protein 1, STAPLED PEPTIDE | Authors: | Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A. | Deposit date: | 2011-08-11 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex. Science, 334, 2011
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8ACN
| CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND | Descriptor: | ACONITASE, IRON/SULFUR CLUSTER, NITROISOCITRIC ACID | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | Deposit date: | 1991-05-15 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of aconitase with isocitrate and nitroisocitrate bound. Biochemistry, 31, 1992
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8USW
| CNQX-bound GluN1a-3A NMDA receptor | Descriptor: | 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile, Glutamate receptor ionotropic, NMDA 1, ... | Authors: | Michalski, K, Furukawa, H. | Deposit date: | 2023-10-30 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel. Sci Adv, 10, 2024
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3GRT
| HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | Descriptor: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | Deposit date: | 1997-02-12 | Release date: | 1997-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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7RIO
| human PXR LBD bound to GSK003 | Descriptor: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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7RIV
| human PXR LBD bound to GSK001 | Descriptor: | Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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7RIU
| human PXR LBD bound to GSK002 | Descriptor: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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2ABE
| Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators | Descriptor: | Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T. | Deposit date: | 2005-07-15 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators. Bioorg.Med.Chem.Lett., 15, 2005
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5KBK
| Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-06-03 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.411 Å) | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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