3I39
 
 | | NI,FE-CODH-320 MV+CN state | | Descriptor: | CYANIDE ION, Carbon monoxide dehydrogenase 2, FE (II) ION, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase
J.Am.Chem.Soc., 131, 2009
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9IIU
 | | Cryo-EM structure of an TEF30-associated intermediate PSII core complex from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Wang, Y, Wang, C, Li, A, Liu, Z. | | Deposit date: | 2024-06-21 | | Release date: | 2025-05-14 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Roles of multiple TEF30-associated intermediate complexes in the repair and reassembly of photosystem II in Chlamydomonas reinhardtii.
Nat.Plants, 11, 2025
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9EQF
 | | Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Hardy, F.J. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
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6UJK
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6ETW
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 3 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-27 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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5O7Y
 | | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... | | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | | Deposit date: | 2017-06-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
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3I9T
 | | Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithiothreitol (DTT) | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2009-07-13 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 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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9ER9
 | | Hydrogenase-1 Ni-R state | | Descriptor: | 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | Authors: | Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A. | | Deposit date: | 2024-03-22 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
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7XW8
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | | Authors: | Oki, H. | | Deposit date: | 2022-05-26 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Eur.J.Med.Chem., 239, 2022
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9HB8
 | | Crystal structure of human tryptophan hydroxylase 2 in complex with inhibitor KM-06-098 | | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 2 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2024-11-05 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (2.896342 Å) | | Cite: | Selectivity and Safety Characterization of a Xanthine-Imidazothiazole Lead Structure: a Novel Tryptophan Hydroxylase Inhibitor of Peripheral Serotonin Synthesis.
Acs Pharmacol Transl Sci, 8, 2025
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3I9U
 | | Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithioerythritol (DTE) | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2009-07-13 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 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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5F5C
 | | Crystal Structure of human JMJD2D complexed with KDOPP7 | | Descriptor: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5AEC
 | | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | | Descriptor: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | | Deposit date: | 2015-08-28 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Acta Crystallogr.,Sect.D, 71, 2015
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6BKA
 | | Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Agniswamy, J, Fang, Y.-F, Weber, I.T. | | Deposit date: | 2017-11-08 | | Release date: | 2018-02-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of yeast nitronate monooxygenase from Cyberlindnera saturnus.
Proteins, 86, 2018
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6MCW
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114 | | Descriptor: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | Deposit date: | 2018-09-02 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
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3JWU
 | | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JX4
 | | Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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9JI6
 | | CYP105A1 R84A complexed with diclofenac (DIF) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ... | | Authors: | Mikami, B, Takita, T, Sakaki, T, Yasuda, K, Wada, M, Yasukawa, K. | | Deposit date: | 2024-09-11 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Function Analysis of Streptomyces griseolus CYP105A1 in the Metabolism of Nonsteroidal Anti-inflammatory Drugs.
Biochemistry, 64, 2025
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9LK5
 | | The structure of Lhcb8-C2S2 PSII-LHCII supercomplex from Arabidopsis thaliana | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Zhou, Q, Caferri, R, Shan, J.Y, Amelii, A, Bassi, R, Liu, Z.F. | | Deposit date: | 2025-01-16 | | Release date: | 2025-06-18 | | Last modified: | 2025-08-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A stress-induced paralog of Lhcb4 controls the photosystem II functional architecture in Arabidopsis thaliana.
Nat Commun, 16, 2025
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9JI1
 | | CYP105A1 complexed with flufenamic acid (FLF) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, ... | | Authors: | Mikami, B, Takita, T, Sakaki, T, Yasuda, K, Wada, M, Yasukawa, K. | | Deposit date: | 2024-09-11 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure-Function Analysis of Streptomyces griseolus CYP105A1 in the Metabolism of Nonsteroidal Anti-inflammatory Drugs.
Biochemistry, 64, 2025
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5EA2
 | | Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | Deposit date: | 2015-10-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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9IMN
 | | Cryo-EM structure of a TEF30-associated intermediate PSII core dimer complex, type I, from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Wang, Y, Wang, C, Li, A, Liu, Z. | | Deposit date: | 2024-07-03 | | Release date: | 2025-05-14 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Roles of multiple TEF30-associated intermediate complexes in the repair and reassembly of photosystem II in Chlamydomonas reinhardtii.
Nat.Plants, 11, 2025
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9IOX
 | | Cryo-EM structure of a TEF30-associated intermediate PSII core dimer complex, type II, from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Wang, Y, Wang, C, Li, A, Liu, Z. | | Deposit date: | 2024-07-09 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Roles of multiple TEF30-associated intermediate complexes in the repair and reassembly of photosystem II in Chlamydomonas reinhardtii.
Nat.Plants, 11, 2025
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3JWT
 | | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JX1
 | | Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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