1JQK
 
 | | Crystal structure of carbon monoxide dehydrogenase from Rhodospirillum rubrum | | Descriptor: | FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Drennan, C.L, Heo, J, Sintchak, M.D, Schreiter, E, Ludden, P.W. | | Deposit date: | 2001-08-07 | | Release date: | 2001-10-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Life on carbon monoxide: X-ray structure of Rhodospirillum rubrum Ni-Fe-S carbon monoxide dehydrogenase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1PCW
 | | Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor | | Descriptor: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION | | Authors: | Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2003-05-17 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Drug DES.DISCOVERY, 18, 2003
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1OQ5
 | | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | | Authors: | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | | Deposit date: | 2003-03-07 | | Release date: | 2004-03-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
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2HS3
 | | T. maritima PurL complexed with FGAR | | Descriptor: | N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, Phosphoribosylformylglycinamidine synthase II | | Authors: | Ealick, S.E, Morar, M. | | Deposit date: | 2006-07-21 | | Release date: | 2007-01-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
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2HS4
 | | T. maritima PurL complexed with FGAR and AMPPCP | | Descriptor: | MAGNESIUM ION, N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE, PHOSPHATE ION, ... | | Authors: | Ealick, S.E, Morar, M. | | Deposit date: | 2006-07-21 | | Release date: | 2007-01-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
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1FR4
 | | X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT | | Descriptor: | CARBONIC ANHYDRASE II, COPPER (II) ION, SULFATE ION | | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2000-09-07 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
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2HRU
 | | T. maritima PurL complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II | | Authors: | Ealick, S.E, Morar, M. | | Deposit date: | 2006-07-20 | | Release date: | 2007-01-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
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2HZ7
 | | Crystal structure of the Glutaminyl-tRNA synthetase from Deinococcus radiodurans | | Descriptor: | Glutaminyl-tRNA synthetase | | Authors: | Deniziak, M, Sauter, C, Becker, H.D, Paulus, C, Giege, R, Kern, D. | | Deposit date: | 2006-08-08 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Deinococcus glutaminyl-tRNA synthetase is a chimer between proteins from an ancient and the modern pathways of aminoacyl-tRNA formation
Nucleic Acids Res., 35, 2007
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5IRV
 | | Human cytochrome P450 17A1 bound to inhibitor VT-464 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | | Authors: | Scott, E.E, Petrunak, E.M. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
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3KDH
 | | Structure of ligand-free PYL2 | | Descriptor: | Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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4E7G
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4X5A
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2D4R
 | | Crystal structure of TTHA0849 from Thermus thermophilus HB8 | | Descriptor: | SULFATE ION, hypothetical protein TTHA0849 | | Authors: | Nakabayashi, M, Shibata, N, Kuramitsu, S, Higuchi, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-10-23 | | Release date: | 2005-12-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a conserved hypothetical protein, TTHA0849 from Thermus thermophilus HB8, at 2.4 A resolution: a putative member of the StAR-related lipid-transfer (START) domain superfamily.
Acta Crystallogr.,Sect.F, 61, 2005
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5WM2
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6WZM
 | | LY3041658 Fab bound to CXCL8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ... | | Authors: | Durbin, J.D, Druzina, Z. | | Deposit date: | 2020-05-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
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6D5T
 | | Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, LYSINE, ... | | Authors: | Juers, D.H. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.00003719 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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3O4T
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7QCF
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6HHY
 | | Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, CALCIUM ION, ... | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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4XG2
 | | Crystal structure of ligand-free Syk | | Descriptor: | Tyrosine-protein kinase SYK | | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | | Deposit date: | 2014-12-30 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
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1AO6
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6U09
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5WG1
 | | Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION | | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | | Deposit date: | 2017-07-13 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.021 Å) | | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
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3GUZ
 | | Structural and substrate-binding studies of pantothenate synthenate (PS)provide insights into homotropic inhibition by pantoate in PS's | | Descriptor: | PANTOATE, Pantothenate synthetase | | Authors: | Chakrabarti, K.S, Thakur, K.G, Gopal, B, Sarma, S.P. | | Deposit date: | 2009-03-30 | | Release date: | 2010-02-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | X-ray crystallographic and NMR studies of pantothenate synthetase provide insights into the mechanism of homotropic inhibition by pantoate
Febs J., 277, 2010
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5WM5
 | | Crystal Structure of CahJ in Complex with 5-Methylsalicyl Adenylate | | Descriptor: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | | Authors: | Sikkema, A.P, Smith, J.L. | | Deposit date: | 2017-07-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
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