3I8R
 
 | | Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT) | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2009-07-10 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase.
Inorg.Chem., 49, 2010
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2J8U
 | | Large CDR3a loop alteration as a function of MHC mutation. | | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, Beta-2-microglobulin, ... | | Authors: | Miller, P.J, Benhar, Y.P, Biddison, W, Collins, E.J. | | Deposit date: | 2006-10-27 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Single MHC mutation eliminates enthalpy associated with T cell receptor binding.
J. Mol. Biol., 373, 2007
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2PBJ
 | | GSH-heme bound microsomal prostaglandin E synthase | | Descriptor: | CHLORIDE ION, GLUTATHIONE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Takusagawa, F, Yamada, T. | | Deposit date: | 2007-03-28 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | PGH2 degradation pathway catalyzed by GSH-heme complex bound microsomal prostaglandin E2 synthase type 2: the first example of a dual-function enzyme.
Biochemistry, 46, 2007
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5YL3
 | | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5 | | Descriptor: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | | Authors: | Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T. | | Deposit date: | 2017-10-17 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.
J. Am. Chem. Soc., 139, 2017
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6MK2
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6MP4
 | | Human liver FABP1 bound to tetrahydrocannabinol | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Fatty acid-binding protein, liver, ... | | Authors: | McGoldrick, L.L, Giuliano, C.J, Elmes, M.W, Deutsch, D.G, Kaczocha, M, Glynn, S.E. | | Deposit date: | 2018-10-05 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | FABP1 controls hepatic transport and biotransformation of Delta 9 -THC.
Sci Rep, 9, 2019
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8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | Deposit date: | 2023-03-13 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
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6ND2
 | | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063) | | Descriptor: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Reeve, S.M, Wright, D.L. | | Deposit date: | 2018-12-13 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates.
Drug Metab.Dispos., 47, 2019
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1PDX
 | | PUTIDAREDOXIN | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | | Deposit date: | 1999-02-15 | | Release date: | 1999-05-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A refined model for the solution structure of oxidized putidaredoxin.
Biochemistry, 38, 1999
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4V3V
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine | | Descriptor: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4V3Y
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine | | Descriptor: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4V3X
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine | | Descriptor: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4V3Z
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4V3W
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine | | Descriptor: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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1ILG
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6VBN
 | | Crystal Structure of hTDO2 bound to inhibitor GNE1 | | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Harris, S.F, Oh, A. | | Deposit date: | 2019-12-19 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6FW2
 | | Crystal Structure of human mARC1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | | Authors: | Kubitza, C, Scheidig, A. | | Deposit date: | 2018-03-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1ILH
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7O9W
 | | Encequidar-bound human P-glycoprotein in complex with UIC2-Fab | | Descriptor: | Multidrug resistance protein 1, UIC2 Fab-fragment heavy chain, UIC2 Fab-fragment light chain, ... | | Authors: | Nosol, K, Locher, K.P. | | Deposit date: | 2021-04-17 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations.
J.Med.Chem., 65, 2022
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4OMG
 | | Crystal structure of the bacterial diterpene cyclase COTB2 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | | Authors: | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
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1WZF
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WZD
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-CH2CH2COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4S0S
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1WZG
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(Salophen)/Wild Type Heme oxygenase | | Descriptor: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, GLYCEROL, Heme oxygenase, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4OMH
 | | Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | | Authors: | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
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