4M11
 
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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2ANQ
 | | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | | Deposit date: | 2005-08-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
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4DZ5
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4M10
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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1J0E
 | | ACC deaminase mutant reacton intermediate | | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase | | Authors: | Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I. | | Deposit date: | 2002-11-12 | | Release date: | 2003-05-12 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
J.BIOL.CHEM., 278, 2003
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3LN1
 | | Structure of celecoxib bound at the COX-2 active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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9K2Y
 | | Human IgG1 Fc fragments, mutant (2CT1.1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ... | | Authors: | Kim, J.-S, Kim, J.-W. | | Deposit date: | 2024-10-18 | | Release date: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of Human Fc fragments mutant (2CT1.1)
To Be Published
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2Z5Z
 | | Crystal structure of the complex of buffalo Lactoperoxidase with fluoride ion at 3.5A resolution | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sheikh, I.A, Jain, R, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the complex of buffalo Lactoperoxidase with fluoride ion at 3.5A resolution
To be Published
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2JLP
 | | Crystal structure of human extracellular copper-zinc superoxide dismutase. | | Descriptor: | COPPER (II) ION, EXTRACELLULAR SUPEROXIDE DISMUTASE (CU-ZN), THIOCYANATE ION, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Marklund, S.L, Hasnain, S.S. | | Deposit date: | 2008-09-14 | | Release date: | 2009-03-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of Human Extracellular Copper-Zinc Superoxide Dismutase at 1.7 A Resolution: Insights Into Heparin and Collagen Binding.
J.Mol.Biol., 388, 2009
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1CK6
 | | BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN (PEROXIDASE), ... | | Authors: | Fukuyama, K, Itakura, H. | | Deposit date: | 1999-04-28 | | Release date: | 1999-12-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding of salicylhydroxamic acid and several aromatic donor molecules to Arthromyces ramosus peroxidase, investigated by X-ray crystallography, optical difference spectroscopy, NMR relaxation, molecular dynamics, and kinetics.
Biochemistry, 38, 1999
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3VU2
 | | Structure of the Starch Branching Enzyme I (BEI) complexed with maltopentaose from Oryza sativa L | | Descriptor: | 1,4-alpha-glucan-branching enzyme, chloroplastic/amyloplastic, GLYCEROL, ... | | Authors: | Chaen, K, Kakuta, Y, Kimura, M. | | Deposit date: | 2012-06-14 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of the rice branching enzyme I (BEI) in complex with maltopentaose.
Biochem.Biophys.Res.Commun., 424, 2012
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5ODC
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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2E95
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675 | | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3PDJ
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
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3MNG
 | | wild type human PrxV with DTT bound as a competitive inhibitor | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, BROMIDE ION, GLYCEROL, ... | | Authors: | Hall, A, Karplus, P.A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Evidence that Peroxiredoxin Catalytic Power Is Based on Transition-State Stabilization.
J.Mol.Biol., 402, 2010
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3R1B
 | | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | | Deposit date: | 2011-03-09 | | Release date: | 2011-05-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
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3AM9
 | | Complex of bovine xanthine dehydrogenase and trihydroxy FYX-051 | | Descriptor: | 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Matsumoto, K, Okamoto, K, Ashizawa, N, Matsumura, T, Kusano, T, Nishino, T. | | Deposit date: | 2010-08-18 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | FYX-051: A Novel and Potent Hybrid-Type Inhibitor of Xanthine Oxidoreductase
J.Pharmacol.Exp.Ther., 336, 2011
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3R43
 | | AKR1C3 complexed with mefenamic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... | | Authors: | Squire, C.J, Teague, R.M, Yosaatmadja, L. | | Deposit date: | 2011-03-17 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3M5Q
 | | 0.93 A Structure of Manganese-Bound Manganese Peroxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Sundaramoorthy, M, Gold, M.H, Poulos, T.L. | | Deposit date: | 2010-03-12 | | Release date: | 2010-04-14 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism.
J.Inorg.Biochem., 104, 2010
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3M8Y
 | | Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2010-03-19 | | Release date: | 2010-12-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
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4FA3
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86) | | Descriptor: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | | Deposit date: | 2012-05-21 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
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2BQR
 | | DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*TP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | | Deposit date: | 2005-04-27 | | Release date: | 2005-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
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1YZP
 | | Substrate-free manganese peroxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | Deposit date: | 2005-02-28 | | Release date: | 2005-05-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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2PRJ
 | | Binding of N-acetyl-beta-D-glucopyranosylamine to Glycogen Phosphorylase B | | Descriptor: | GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, N-acetyl-beta-D-glucopyranosylamine, ... | | Authors: | Oikonomakos, N.G, Kontou, M, Zographos, S.E, Watson, K.A, Johnson, L.N, Bichard, C.J.F, Fleet, G.W.J, Acharya, K.R. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.
Protein Sci., 4, 1995
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1YYG
 | | Manganese peroxidase complexed with Cd(II) inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | Deposit date: | 2005-02-24 | | Release date: | 2005-05-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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