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PDB: 2998 件

3E6L
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BU of 3e6l by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C132283
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E67
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Murine inos dimer with inhibitor 4-MAP bound
分子名称: 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-14
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E6T
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BU of 3e6t by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C118901
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E6N
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BU of 3e6n by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C125813
分子名称: 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6IEJ
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BU of 6iej by Molmil
The C2 domain of cytosolic phospholipase A2 alpha bound to phosphatidylcholine
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CALCIUM ION, Cytosolic phospholipase A2, ...
著者Hirano, Y, Gao, Y.G, Stephenson, D.J, Vu, N.T, Malinina, L, Chalfant, C.E, Patel, D.J, Brown, R.E.
登録日2018-09-14
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structural basis of phosphatidylcholine recognition by the C2-domain of cytosolic phospholipase A2alpha.
Elife, 8, 2019
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
分子名称: Major capsid protein, Penton protein (VP14), VP137, ...
著者Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
登録日2022-11-20
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
8HFK
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BU of 8hfk by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
分子名称: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者Hou, X.D, Yin, D.J, Rao, Y.J.
登録日2022-11-10
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HFJ
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Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
分子名称: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
著者Hou, X.D, Yin, D.J, Rao, Y.J.
登録日2022-11-10
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8H5D
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BU of 8h5d by Molmil
Crystal structure of YojK mutant in complex with UDP
分子名称: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Hou, X.D, Yang, S, Yin, D.J, Rao, Y.J.
登録日2022-10-12
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Improving the Thermostability of Glycosyltransferase YojK by Targeting Mutagenesis for Highly Efficient Biosynthesis of Rebaudioside D
To Be Published
3E7I
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BU of 3e7i by Molmil
Structure of murine inos oxygenase domain with inhibitor AR-C94864
分子名称: (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7T
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BU of 3e7t by Molmil
Structure of murine iNOS oxygenase domain with inhibitor AR-C102222
分子名称: 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EBF
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BU of 3ebf by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EAI
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BU of 3eai by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6YSN
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BU of 6ysn by Molmil
Human TRPC5 in complex with Pico145 (HC-608)
分子名称: 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione, Maltose/maltodextrin-binding periplasmic protein,Short transient receptor potential channel 5
著者Wright, D.J, Johnson, R.M, Muench, S.P, Bon, R.S.
登録日2020-04-22
公開日2020-12-02
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Human TRPC5 structures reveal interaction of a xanthine-based TRPC1/4/5 inhibitor with a conserved lipid binding site.
Commun Biol, 3, 2020
1UOT
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BU of 1uot by Molmil
HUMAN CD55 DOMAINS 3 & 4
分子名称: COMPLEMENT DECAY-ACCELERATING FACTOR
著者Williams, P, Chaudhry, Y, Goodfellow, I.G, Billington, J, Spiller, B, Evans, D.J, Lea, S.M.
登録日2003-09-23
公開日2003-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A
J.Biol.Chem., 278, 2003
5DRU
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BU of 5dru by Molmil
Structure of His387Ala mutant of the propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
分子名称: Aldehyde Dehydrogenase, SULFATE ION
著者Tuck, L.R, Altenbach, K, Fu, A.T, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J.
登録日2015-09-16
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.083 Å)
主引用文献Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
2XBN
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BU of 2xbn by Molmil
Inhibition of the PLP-dependent enzyme serine palmitoyltransferase by cycloserine: evidence for a novel decarboxylative mechanism of inactivation
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MAGNESIUM ION, SERINE PALMITOYLTRANSFERASE
著者Lowther, J, Yard, B.A, Johnson, K.A, Carter, L.G, Bhat, V.T, Raman, M.C.C, Clarke, D.J, Ramakers, B, McMahon, S.A, Naismith, J.H, Campopiano, D.J.
登録日2010-04-13
公開日2010-05-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of the Plp-Dependent Enzyme Serine Palmitoyltransferase by Cycloserine: Evidence for a Novel Decarboxylative Mechanism of Inactivation.
Mol.Biosystems, 6, 2010
4ARX
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BU of 4arx by Molmil
Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73
分子名称: 1,3-DIAMINOPROPANE, GLYCEROL, PESTICIDAL CRYSTAL PROTEIN CRY1AC
著者Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
登録日2012-04-27
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
4ARY
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BU of 4ary by Molmil
Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc
分子名称: 1,3-DIAMINOPROPANE, 2-acetamido-2-deoxy-beta-D-galactopyranose, PESTICIDAL CRYSTAL PROTEIN CRY1AC
著者Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
登録日2012-04-27
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
3EFR
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BU of 3efr by Molmil
Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin
分子名称: BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
著者Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
登録日2008-09-10
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
1QDA
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BU of 1qda by Molmil
Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA
分子名称: 4'-EPIDOXORUBICIN, 5' -D(CP*GP*CP*(G49)P*CP*GP)-3'
著者Podell, E.R, Harrington, D.J, Taatjes, D.J, Koch, T.H.
登録日1999-05-17
公開日1999-09-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA and evidence for its formation in human breast-cancer cells.
Acta Crystallogr.,Sect.D, 55, 1999
7W5N
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BU of 7w5n by Molmil
The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH
分子名称: L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J.
登録日2021-11-30
公開日2023-03-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.988 Å)
主引用文献Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
1MDR
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BU of 1mdr by Molmil
THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
著者Landro, J.A, Gerlt, J.A, Kozarich, J.W, Koo, C.W, Shah, V.J, Kenyon, G.L, Neidhart, D.J, Fujita, S, Petsko, G.A.
登録日1993-11-19
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
7DUF
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BU of 7duf by Molmil
Crystal structure of VIM1 PHD finger.
分子名称: E3 ubiquitin-protein ligase ORTHRUS 2, ZINC ION
著者Abhishek, S, Deeksha, W, Patel, D.J, Rajakumara, E.
登録日2021-01-08
公開日2021-08-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Helical and beta-Turn Conformations in the Peptide Recognition Regions of the VIM1 PHD Finger Abrogate H3K4 Peptide Recognition.
Biochemistry, 60, 2021

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