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6CIF
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BU of 6cif by Molmil
Structure of the human endothelial nitric oxide synthase heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2018-02-23
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
1L70
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BU of 1l70 by Molmil
MULTIPLE STABILIZING ALANINE REPLACEMENTS WITHIN ALPHA-HELIX 126-134 OF T4 LYSOZYME HAVE INDEPENDENT, ADDITIVE EFFECTS ON BOTH STRUCTURE AND STABILITY
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Zhang, X, Matthews, B.W.
登録日1991-09-23
公開日1991-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multiple alanine replacements within alpha-helix 126-134 of T4 lysozyme have independent, additive effects on both structure and stability.
Protein Sci., 1, 1992
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
分子名称: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6CIC
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BU of 6cic by Molmil
Structure of the human nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide, ...
著者Li, H, Poulos, T.L.
登録日2018-02-23
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
1TSI
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BU of 1tsi by Molmil
STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP
分子名称: N-HYDROXY-4-PHOSPHONO-BUTANAMIDE, TRIOSEPHOSPHATE ISOMERASE
著者Verlinde, C.L.M.J.
登録日1992-11-19
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono-butanamide: binding at the active site despite an "open" flexible loop conformation.
Protein Sci., 1, 1992
6AUX
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BU of 6aux by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
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 (1.9 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
1L73
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BU of 1l73 by Molmil
MULTIPLE STABILIZING ALANINE REPLACEMENTS WITHIN ALPHA-HELIX 126-134 OF T4 LYSOZYME HAVE INDEPENDENT, ADDITIVE EFFECTS ON BOTH STRUCTURE AND STABILITY
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Zhang, X, Matthews, B.W.
登録日1991-09-23
公開日1991-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Multiple alanine replacements within alpha-helix 126-134 of T4 lysozyme have independent, additive effects on both structure and stability.
Protein Sci., 1, 1992
1YII
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BU of 1yii by Molmil
Crystal Structures of Chicken Annexin V in Complex with Ca2+
分子名称: Annexin A5, CALCIUM ION, SULFATE ION
著者Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L.
登録日2005-01-11
公開日2005-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies
Annexins, 1, 2005
1L74
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BU of 1l74 by Molmil
MULTIPLE STABILIZING ALANINE REPLACEMENTS WITHIN ALPHA-HELIX 126-134 OF T4 LYSOZYME HAVE INDEPENDENT, ADDITIVE EFFECTS ON BOTH STRUCTURE AND STABILITY
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Zhang, X, Matthews, B.W.
登録日1991-09-23
公開日1991-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Multiple alanine replacements within alpha-helix 126-134 of T4 lysozyme have independent, additive effects on both structure and stability.
Protein Sci., 1, 1992
1L75
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BU of 1l75 by Molmil
MULTIPLE STABILIZING ALANINE REPLACEMENTS WITHIN ALPHA-HELIX 126-134 OF T4 LYSOZYME HAVE INDEPENDENT, ADDITIVE EFFECTS ON BOTH STRUCTURE AND STABILITY
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Zhang, X, Matthews, B.W.
登録日1991-09-23
公開日1991-10-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multiple alanine replacements within alpha-helix 126-134 of T4 lysozyme have independent, additive effects on both structure and stability.
Protein Sci., 1, 1992
5ZPM
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BU of 5zpm by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 7 at 288 K (2)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
登録日2018-04-16
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZP0
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BU of 5zp0 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 8 at 288 K (2)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
登録日2018-04-16
公開日2018-12-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZW2
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BU of 5zw2 by Molmil
FAD complex of PigA
分子名称: 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, ...
著者Lee, C.-C, Ko, T.-P, Wang, A.H.J.
登録日2018-05-14
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal Structure of PigA: A Prolyl Thioester-Oxidizing Enzyme in Prodigiosin Biosynthesis.
Chembiochem, 20, 2019
5ZP2
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BU of 5zp2 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 9 at 288 K (2)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
登録日2018-04-16
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献To be determined
To Be Published
6N59
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BU of 6n59 by Molmil
1.0 Angstrom crystal structure of [FeFe]-hydrogenase
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Zadvornyy, O.A, Keable, S.M, Artz, J.H, Peters, J.W.
登録日2018-11-21
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases.
J.Am.Chem.Soc., 142, 2020
8WB4
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BU of 8wb4 by Molmil
Structure of PSII-ACPII supercomplex from cryptophyte algae
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
著者Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
登録日2023-09-08
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
5TCW
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BU of 5tcw by Molmil
ACC oxidase complex with nickel and acetate
分子名称: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION
著者Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
登録日2016-09-15
公開日2017-09-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
2Z3Y
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BU of 2z3y by Molmil
Crystal structure of Lysine-specific demethylase1
分子名称: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
著者Mimasu, S, Sengoku, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-06-08
公開日2008-01-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
8XR6
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BU of 8xr6 by Molmil
Cryo-EM structure of cryptophyte photosystem II
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, ...
著者Li, K, Zhao, L.S, Zhang, Y.Z, Liu, L.N.
登録日2024-01-06
公開日2024-06-19
最終更新日2025-01-01
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structure of cryptophyte photosystem II-light-harvesting antennae supercomplex.
Nat Commun, 15, 2024
1VEW
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BU of 1vew by Molmil
MANGANESE SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI
分子名称: HYDROXIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
著者Edwards, R.A, Baker, H.M, Whittaker, M.M, Whittaker, J.W, Jameson, G.B, Baker, E.N.
登録日1998-01-20
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Escherichia coli manganese superoxide dismutase at 2.1-angstrom resolution.
J.Biol.Inorg.Chem., 3, 1998
1R35
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BU of 1r35 by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
分子名称: 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Shieh, H.S, Stevens, A.M, Stallings, W.C.
登録日2003-09-30
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain.
Org.Biomol.Chem., 1, 2003
8XLP
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BU of 8xlp by Molmil
Structure of inactive Photosystem II associated with CAC antenna from Rhodomonas Salina
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Si, L, Li, M.
登録日2023-12-26
公開日2024-07-31
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Structural basis for the distinct core-antenna assembly of cryptophyte photosystem II.
Nat Commun, 15, 2024
6CIE
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BU of 6cie by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2018-02-23
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
6A18
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Crystal structure of CYP90B1 in complex with 1,6-hexandiol
分子名称: CHLORIDE ION, Cytochrome P450 90B1, GLYCEROL, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019

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