4KEB
 
 | | Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine | | Descriptor: | 6-ethyl-5-{(3S)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Lamb, K.M, Anderson, A.C. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
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3QVS
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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1DG7
 | | DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND 4-BROMO WR99210 | | Descriptor: | 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | Authors: | Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G. | | Deposit date: | 1999-11-23 | | Release date: | 2000-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
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3RFV
 | | Crystal structure of Uronate dehydrogenase from Agrobacterium tumefaciens complexed with NADH and product | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-galactaro-1,5-lactone, PHOSPHATE ION, ... | | Authors: | Parkkinen, T, Rouvinen, J. | | Deposit date: | 2011-04-07 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Uronate Dehydrogenase from Agrobacterium tumefaciens.
J.Biol.Chem., 286, 2011
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3UNC
 | | Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution | | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, CARBONATE ION, ... | | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | | Deposit date: | 2011-11-15 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase.
J.Am.Chem.Soc., 134, 2012
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3AUU
 | | Crystal structure of Bacillus megaterium glucose dehydrogenase 4 in complex with D-glucose | | Descriptor: | Glucose 1-dehydrogenase 4, beta-D-glucopyranose | | Authors: | Nishioka, T, Yasutake, Y, Nishiya, Y, Tamura, T. | | Deposit date: | 2011-02-16 | | Release date: | 2012-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided mutagenesis for the improvement of substrate specificity of Bacillus megaterium glucose 1-dehydrogenase IV
Febs J., 279, 2012
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3AUS
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1VLB
 | | STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, CHLORIDE ION, ... | | Authors: | Rebelo, J.M, Dias, J.M, Huber, R, Moura, J.J.G, Romao, M.J. | | Deposit date: | 2004-07-20 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structure refinement of the aldehyde oxidoreductase from Desulfovibrio gigas (MOP) at 1.28 A
J.Biol.Inorg.Chem., 6, 2001
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4KAK
 | | Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) | | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ... | | Authors: | Lamb, K.M, Anderson, A.C. | | Deposit date: | 2013-04-22 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
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2CYP
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1JFH
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4G1R
 | | Crystal structure of anti-HIV actinohivin in complex with alphs-1,2-mannobiose (Form II) | | Descriptor: | Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | | Deposit date: | 2012-07-11 | | Release date: | 2013-07-17 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Peculiarity in crystal packing of anti-HIV lectin actinohivin in complex with alpha (1-2)mannobiose.
Acta Crystallogr.,Sect.D, 69, 2013
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3WG7
 | | A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H. | | Deposit date: | 2013-07-29 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
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3TSW
 | | crystal structure of the PDZ3-SH3-GUK core module of Human ZO-1 | | Descriptor: | SULFATE ION, Tight junction protein ZO-1 | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2011-09-13 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.847 Å) | | Cite: | The Src Homology 3 Domain Is Required for Junctional Adhesion Molecule Binding to the Third PDZ Domain of the Scaffolding Protein ZO-1.
J.Biol.Chem., 286, 2011
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1PGE
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-12-02 | | Release date: | 1997-01-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | Deposit date: | 2011-10-21 | | Release date: | 2013-01-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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1BGP
 | | CRYSTAL STRUCTURE OF BARLEY GRAIN PEROXIDASE 1 | | Descriptor: | BARLEY GRAIN PEROXIDASE, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Henriksen, A. | | Deposit date: | 1997-07-24 | | Release date: | 1997-11-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of barley grain peroxidase refined at 1.9-A resolution. A plant peroxidase reversibly inactivated at neutral pH.
J.Biol.Chem., 273, 1998
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3OQ1
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | | Descriptor: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2010-09-02 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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2BS4
 | | GLU C180 -> ILE VARIANT QUINOL:FUMARATE REDUCTASE FROMWOLINELLA SUCCINOGENES | | Descriptor: | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE, CITRIC ACID, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Lancaster, C.R.D. | | Deposit date: | 2005-05-14 | | Release date: | 2005-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Experimental Support for the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase
Proc.Natl.Acad.Sci.USA, 102, 2005
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3X2H
 | | X-ray structure of PcCel45A N92D with cellopentaose at 95K. | | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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2XNA
 | | Crystal structure of the complex between human T cell receptor and staphylococcal enterotoxin | | Descriptor: | ENTEROTOXIN H, GLYCEROL, SODIUM ION, ... | | Authors: | Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K. | | Deposit date: | 2010-07-31 | | Release date: | 2010-11-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
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2XN9
 | | Crystal structure of the ternary complex between human T cell receptor, staphylococcal enterotoxin H and human major histocompatibility complex class II | | Descriptor: | ENTEROTOXIN H, GLYCEROL, HEMAGGLUTININ, ... | | Authors: | Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K. | | Deposit date: | 2010-07-31 | | Release date: | 2010-11-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
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2O23
 | | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A | | Descriptor: | GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-29 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
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4PH9
 | | The structure of Ibuprofen bound to cyclooxygenase-2 | | 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: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | | Deposit date: | 2014-05-05 | | Release date: | 2014-11-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
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4HCX
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