5K2J
 
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2BMQ
 | | The Crystal Structure of Nitrobenzene Dioxygenase in complex with nitrobenzene | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
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7EOX
 | | Protease structure from Euphorbia resinifera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, Protease, ... | | Authors: | Siritapetawee, J, Attarataya, J, Charoenwattanasatien, R. | | Deposit date: | 2021-04-24 | | Release date: | 2022-01-12 | | Last modified: | 2023-01-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sequence analysis and crystal structure of a glycosylated protease from Euphorbia resinifera latex for its proteolytic activity aspect.
Biotechnol Appl Biochem, 69, 2022
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2BWY
 | | Glu383Ala Escherichia coli Aminopeptidase P | | Descriptor: | AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ... | | Authors: | Graham, S.C, Guss, J.M. | | Deposit date: | 2005-07-19 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
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5KCC
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.386 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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2YBJ
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2BMO
 | | The Crystal Structure of Nitrobenzene Dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
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2YBU
 | | Crystal structure of human acidic chitinase in complex with bisdionin F | | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
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7FIO
 | | LecA from Pseudomonas aeruginosa in complex with a synthetic monovalent galactosidic inhibitor | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide, ... | | Authors: | Kuhaudomlarp, S, Siebs, E, da Silva Figueiredo Celestino Gomes, P, Fortin, C, Rognan, D, Rademacher, C, Imberty, A, Titz, A. | | Deposit date: | 2021-07-31 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Targeting the Central Pocket of the Pseudomonas aeruginosa Lectin LecA.
Chembiochem, 23, 2022
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2JAW
 | | Crystal structure of D41N variant of human mitochondrial 5'(3')- deoxyribonucleotidase (mdN) in complex with 5-bromovinyldeoxyuridine 5'-monophosphate | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, MAGNESIUM ION | | Authors: | Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P. | | Deposit date: | 2006-11-30 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
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2BWU
 | | Asp271Ala Escherichia coli Aminopeptidase P | | Descriptor: | AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ... | | Authors: | Graham, S.C, Guss, J.M. | | Deposit date: | 2005-07-19 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
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2JAR
 | | Crystal structure of D12N variant of mouse cytosolic 5'(3')- deoxyribonucleotidase (cdN) in complex with deoxyuridine 5'- monophosphate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, MAGNESIUM ION | | Authors: | Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P. | | Deposit date: | 2006-11-30 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
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2BMR
 | | The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene | | Descriptor: | 1,2-ETHANEDIOL, 3-NITROTOLUENE, ETHANOL, ... | | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase.
J. Mol. Biol., 348, 2005
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2YBL
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5K0B
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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2BW4
 | | Atomic Resolution Structure of Resting State of the Achromobacter cycloclastes Cu Nitrite Reductase | | Descriptor: | ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Sawers, G, Eady, R.R, Hasnain, S.S. | | Deposit date: | 2005-07-12 | | Release date: | 2005-08-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism
Proc.Natl.Acad.Sci.USA, 102, 2005
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2YB0
 | | The Crystal Structure of Leishmania major dUTPase in complex deoxyuridine | | Descriptor: | 2'-DEOXYURIDINE, DUTPASE, SULFATE ION | | Authors: | Hemsworth, G.R, Moroz, O.V, Fogg, M.J, Scott, B, Bosch-Navarrete, C, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2011-02-25 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine.
J.Biol.Chem., 286, 2011
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5K0L
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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2BW5
 | | Atomic Resolution Structure of NO-bound Achromobacter cycloclastes Cu Nitrite Reductase | | Descriptor: | ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Sawers, G, Eady, R.R, Hasnain, S.S. | | Deposit date: | 2005-07-12 | | Release date: | 2005-08-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism
Proc.Natl.Acad.Sci.USA, 102, 2005
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2YBH
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7OPJ
 | | Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine | | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ACETATE ION, GLYCEROL, ... | | Authors: | Tassone, G, Landi, G, Pozzi, C, Mangani, S. | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase.
Pharmaceuticals, 14, 2021
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8AG1
 | | Crystal structure of a novel OX40 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ... | | Authors: | Gao, H, Zhou, A. | | Deposit date: | 2022-07-19 | | Release date: | 2023-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
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7OL3
 | | Human ATL1 N417ins (catalytic core) | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kelly, C.M, Sondermann, H. | | Deposit date: | 2021-05-19 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel insertion mutation in atlastin 1 is associated with spastic quadriplegia, increased membrane tethering, and aberrant conformational switching.
J.Biol.Chem., 298, 2021
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5KCW
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KD9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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