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6XMC
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BU of 6xmc by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7RT0
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1.80 A resolution structure of MAO from P. nicotinovorans in complex with FAD
分子名称: 4-methylaminobutanoate oxidase (methylamine-forming), FLAVIN-ADENINE DINUCLEOTIDE, TETRAETHYLENE GLYCOL
著者Lovell, S, Bowman, A, Battaile, K.P, Deay, D.O.
登録日2021-08-12
公開日2021-08-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献To be determined
To be published
5KOW
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BU of 5kow by Molmil
Structure of rifampicin monooxygenase
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase
著者Tanner, J.J, Liu, L.-K.
登録日2016-07-01
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
6XK3
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Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
5KOX
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Structure of rifampicin monooxygenase complexed with rifampicin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase, RIFAMPICIN
著者Tanner, J.J, Liu, L.-K.
登録日2016-07-01
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
8Q6D
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BU of 8q6d by Molmil
Anaerobic crystal structure of HIF prolyl hydroxylase 2 (PHD2 181-407) in complex with HIF2alpha-CODD peptide (523-542), Fe(II) and 2-oxoglutarate (2OG)
分子名称: 2-OXOGLUTARIC ACID, Egl nine homolog 1, Endothelial PAS domain-containing protein 1, ...
著者Fiorini, G, Figg Jr, W.D, Schofield, C.J.
登録日2023-08-11
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献HIF prolyl hydroxylase 2 in complex with HIF2alpha-CODD
To Be Published
9Q4G
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BU of 9q4g by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2025-08-20
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
5LPN
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BU of 5lpn by Molmil
Structure of human Rab10 in complex with the bMERB domain of Mical-1
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ...
著者Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
登録日2016-08-14
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5JWC
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BU of 5jwc by Molmil
Structure of NDH2 from plasmodium falciparum in complex with RYL-552
分子名称: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y.
登録日2016-05-12
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5KAH
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BU of 5kah by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
分子名称: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
著者Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.779 Å)
主引用文献Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5KAG
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Crystal structure of a dioxygenase in the Crotonase superfamily in P21
分子名称: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
著者Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.456 Å)
主引用文献Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
8XU7
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BU of 8xu7 by Molmil
Crystal structure of Lsd18 in complex with a product
分子名称: (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Deng, Y.M, Chen, X.
登録日2024-01-12
公開日2025-01-15
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Sequential Enantioselective Epoxidation by a Flavin-Dependent Monooxygenase in Lasalocid A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 64, 2025
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
分子名称: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-09
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2520268 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK8
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BU of 6xk8 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
8Q5S
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BU of 8q5s by Molmil
Anaerobic crystal structure of apo-HIF prolyl hydroxylase 2 (PHD2 181-407)in complex with acetate (ACT) and HIF2alpha-CODD peptide
分子名称: ACETATE ION, Egl nine homolog 1, Endothelial PAS domain-containing protein 1
著者Fiorini, G, Figg Jr, W.D, Schofield, C.J.
登録日2023-08-09
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献HIF prolyl hydroxylase 2 in complex with HIF2alpha-CODD
To Be Published
8Q64
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BU of 8q64 by Molmil
Crystal structure of hydroxylated HIF2alpha-CODD peptide (523-542) bound to apo-HIF prolyl hydroxylase 2 (PHD2 181-407)
分子名称: ACETATE ION, Egl nine homolog 1, Endothelial PAS domain-containing protein 1
著者Fiorini, G, Figg Jr, W.D, Schofield, C.J.
登録日2023-08-10
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献HIF prolyl hydroxylase 2 in complex with HIF2alpha-CODD
To Be Published
8Q6E
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BU of 8q6e by Molmil
Aerobic crystal structure of HIF prolyl hydroxylase 2 (PHD2 181-407) in complex with Fe(III), 2-oxoglutarate (2OG) and HIF2alpha-CODD peptide
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, Egl nine homolog 1, ...
著者Fiorini, G, Figg Jr, W.D, Schofield, C.J.
登録日2023-08-11
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献HIF prolyl hydroxylase 2 in complex with HIF2alpha-CODD
To Be Published
9Q4I
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BU of 9q4i by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2025-08-20
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors
To Be Published
1MHE
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BU of 1mhe by Molmil
THE HUMAN NON-CLASSICAL MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE HLA-E
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HLA-E, PEPTIDE (VMAPRTVLL), ...
著者O'Callaghan, C.A, Tormo, J, Willcox, B.E, Braud, V.B, Jakobsen, B.K, Stuart, D.I, Mcmichael, A.J, Bell, J.I, Jones, E.Y.
登録日1998-08-24
公開日1999-03-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural features impose tight peptide binding specificity in the nonclassical MHC molecule HLA-E.
Mol.Cell, 1, 1998
1ZXF
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BU of 1zxf by Molmil
Solution structure of a self-sacrificing resistance protein, CalC from Micromonospora echinospora
分子名称: CalC
著者Singh, S, Hager, M.H, Zhang, C, Griffith, B.R, Lee, M.S, Hallenga, K, Markley, J.L, Thorson, J.S, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-06-08
公開日2005-12-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
1BBD
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BU of 1bbd by Molmil
THREE DIMENSIONAL STRUCTURE OF THE FAB FRAGMENT OF A NEUTRALIZING ANTIBODY TO HUMAN RHINOVIRUS SEROTYPE 2
分子名称: IGG2A-KAPPA 8F5 FAB (HEAVY CHAIN), IGG2A-KAPPA 8F5 FAB (LIGHT CHAIN), SULFATE ION
著者Tormo, J, Blaas, D, Fita, I.
登録日1992-05-05
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Three-dimensional structure of the Fab fragment of a neutralizing antibody to human rhinovirus serotype 2.
Protein Sci., 1, 1992
1BCF
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BU of 1bcf by Molmil
THE STRUCTURE OF A UNIQUE, TWO-FOLD SYMMETRIC, HAEM-BINDING SITE
分子名称: BACTERIOFERRITIN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
著者Frolow, F, Kalb(Gilboa), A.J, Yariv, J.
登録日1993-12-06
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of a unique twofold symmetric haem-binding site.
Nat.Struct.Biol., 1, 1994
9CVX
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BU of 9cvx by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-amine dihydrochloride
分子名称: (2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2024-07-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
9CVV
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Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(3-fluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{3-fluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2024-07-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
9GHL
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BU of 9ghl by Molmil
Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with malate
分子名称: D-MALATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Alshref, F.M, Allen, M.D, Sanguankiattichai, N, Zaborskyte, G, Schofield, C.J.
登録日2024-08-15
公開日2025-08-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with malate
To Be Published

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