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7OIH
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Glycosylation in the crystal structure of neutrophil myeloperoxidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Krawczyk, L, Semwal, S, Bouckaert, J.
登録日2021-05-11
公開日2022-08-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase.
Acta Crystallogr D Struct Biol, 78, 2022
7AQ8
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BU of 7aq8 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y/D576A
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQ0
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BU of 7aq0 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
6E0B
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BU of 6e0b by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1
分子名称: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Tomchick, D.R, Phillips, M.A, Deng, X.
登録日2018-07-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Identification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265.
ACS Infect Dis, 5, 2019
3WFD
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BU of 3wfd by Molmil
Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
分子名称: (1E)-N-hydroxyethanimine, CALCIUM ION, FE (III) ION, ...
著者Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
登録日2013-07-18
公開日2014-05-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
6K0F
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BU of 6k0f by Molmil
The crystal structure of cyclopenin-bound AsqJ quinary complex
分子名称: (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ...
著者Liao, H.J, Chan, N.L.
登録日2019-05-06
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.634 Å)
主引用文献The crystal structure of cyclopenin-bound AsqJ quinary complex
J.Am.Chem.Soc., 2020
6YP7
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PSII-LHCII C2S2 supercomplex from Pisum sativum grown in high light conditions
分子名称: (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, ...
著者Grinzato, A, Albanese, P, Zanotti, G, Pagliano, C.
登録日2020-04-15
公開日2020-11-25
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献High-Light versus Low-Light: Effects on Paired Photosystem II Supercomplex Structural Rearrangement in Pea Plants.
Int J Mol Sci, 21, 2020
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
分子名称: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
登録日2022-10-28
公開日2023-03-22
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
分子名称: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
登録日2022-11-03
公開日2023-03-22
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
著者McLean, L, Zhang, Y.
登録日2009-11-30
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
6T86
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BU of 6t86 by Molmil
Urocanate reductase in complex with FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
6T87
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BU of 6t87 by Molmil
Urocanate reductase in complex with urocanate
分子名称: (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
9KW2
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BU of 9kw2 by Molmil
Crystal structure of CYP105A1 R84A and ketoconazole complex
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hirano, Y, Yoneda, S, Yasuda, K, Takimoto-Kamimura, M, Sakaki, T, Tamada, T.
登録日2024-12-05
公開日2025-05-21
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cooperative inhibition in cytochrome P450 between a substrate and an apparent noncompetitive inhibitor.
J.Biol.Chem., 301, 2025
3HSO
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BU of 3hso by Molmil
Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ...
著者Doukov, T, Li, H, Soltis, M, Poulos, T.L.
登録日2009-06-10
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
6AV6
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BU of 6av6 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2017-09-01
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
5FA9
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BU of 5fa9 by Molmil
Bifunctional Methionine Sulfoxide Reductase AB (MsrAB) from Treponema denticola
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptide methionine sulfoxide reductase MsrA
著者Han, A, Son, J, Kim, H.-Y, Hwang, K.Y.
登録日2015-12-11
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Essential Role of the Linker Region in the Higher Catalytic Efficiency of a Bifunctional MsrA-MsrB Fusion Protein
Biochemistry, 55, 2016
5D8I
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BU of 5d8i by Molmil
Engineering the Species-Specificity of an Inhibitory Antibody Targeting a Modulator of Tumor Stroma
分子名称: Sulfhydryl oxidase 1
著者Grossman, I, Fass, D.
登録日2015-08-17
公開日2016-02-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Overcoming a species-specificity barrier in development of an inhibitory antibody targeting a modulator of tumor stroma.
Protein Eng.Des.Sel., 29, 2016
4LGL
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BU of 4lgl by Molmil
Crystal Structure of Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803, apo form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glycine dehydrogenase [decarboxylating]
著者Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I.
登録日2013-06-28
公開日2013-10-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.0004 Å)
主引用文献Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation.
J.Biol.Chem., 288, 2013
5A12
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BU of 5a12 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with azide
分子名称: AZIDE ION, CHLORITE DISMUTASE, GLYCEROL, ...
著者Correia, H.D, Santos-Silva, T.
登録日2015-04-27
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
8RTP
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BU of 8rtp by Molmil
Bilirubin oxidase from Myrothecium verrucaria in complex with NAD+
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ...
著者Svecova, L, Koval, T, Kolenko, P, Ostergaard, L.H, Dohnalek, J.
登録日2024-01-27
公開日2025-08-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bilirubin oxidase - answers to questions on ligand binding and Trp-His covalent link formation
To be published
8RTQ
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BU of 8rtq by Molmil
Bilirubin oxidase from Myrothecium verrucaria with G395T mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, CHLORIDE ION, ...
著者Svecova, L, Koval, T, Kolenko, P, Ostergaard, L.H, Dohnalek, J.
登録日2024-01-27
公開日2025-08-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bilirubin oxidase - answers to questions on ligand binding and Trp-His covalent link formation
To be published
3LOY
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BU of 3loy by Molmil
Crystal structure of a Copper-containing benzylamine oxidase from Hansenula Polymorpha
分子名称: COPPER (II) ION, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Klema, V.J, Johnson, B.J, Wilmot, C.M.
登録日2010-02-04
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural analysis of substrate specificity in two copper amine oxidases from Hansenula polymorpha.
Biochemistry, 49, 2010
5E6H
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BU of 5e6h by Molmil
A Linked Jumonji Domain of the KDM5A Lysine Demethylase
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2015-10-09
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases.
J.Biol.Chem., 291, 2016
3HPY
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BU of 3hpy by Molmil
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas in the complex with 4-methylcatechol
分子名称: 4-METHYLCATECHOL, Catechol 2,3-dioxygenase, FE (III) ION
著者Cho, J.-H, Rhee, S.
登録日2009-06-05
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure and functional analysis of the extradiol dioxygenase LapB from a long-chain alkylphenol degradation pathway in Pseudomonas
J.Biol.Chem., 284, 2009
9ESG
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BU of 9esg by Molmil
Holo IDO with a bound inhibitor
分子名称: (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Wicki, M, Mac Sweeney, A.
登録日2024-03-26
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献SAR and cellular potency optimization of novel heme-binding IDO1 inhibitors
To Be Published

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件を2025-10-15に公開中

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