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1IW0
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BU of 1iw0 by Molmil
Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferric state
Descriptor: Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-04-04
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae.
J.Biol.Chem., 279, 2004
1IW1
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BU of 1iw1 by Molmil
Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferrous state
Descriptor: Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-04-04
Release date:2003-04-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae.
J.Biol.Chem., 279, 2004
3I8R
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BU of 3i8r by Molmil
Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT)
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Matsui, T, Unno, M, Ikeda-Saito, M.
Deposit date:2009-07-10
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase.
Inorg.Chem., 49, 2010
3I9U
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BU of 3i9u by Molmil
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
3QXM
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BU of 3qxm by Molmil
Crystal Structure of Human GluK2 Ligand-Binding Core in Complex with Novel Marine-Derived Toxins, Neodysiherbaine A
Descriptor: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, Glutamate receptor ionotropic, kainate 2
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2011-03-02
Release date:2011-10-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
1SR5
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BU of 1sr5 by Molmil
ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE
Descriptor: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ...
Authors:Dementiev, A, Petitou, M, Gettins, P.G.
Deposit date:2004-03-22
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity.
Nat.Struct.Mol.Biol., 11, 2004
1IOT
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BU of 1iot by Molmil
STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION
Descriptor: LYSOZYME C
Authors:Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T.
Deposit date:2001-03-28
Release date:2001-04-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
1IOQ
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BU of 1ioq by Molmil
STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION
Descriptor: LYSOZYME C
Authors:Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T.
Deposit date:2001-03-28
Release date:2001-04-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
1IOS
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BU of 1ios by Molmil
STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION
Descriptor: LYSOZYME C
Authors:Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T.
Deposit date:2001-03-28
Release date:2001-04-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
1IOR
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BU of 1ior by Molmil
STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION
Descriptor: LYSOZYME C
Authors:Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T.
Deposit date:2001-03-28
Release date:2001-04-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
2ZNT
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BU of 2znt by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, dysiherbaine
Descriptor: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2008-05-01
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
2ZNU
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BU of 2znu by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A
Descriptor: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2008-05-01
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
2ZNS
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BU of 2zns by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2008-05-01
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3V66
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BU of 3v66 by Molmil
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid
Descriptor: (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N.
Deposit date:2011-12-18
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
3Q2Z
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BU of 3q2z by Molmil
Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid
Descriptor: N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
2Z68
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BU of 2z68 by Molmil
Crystal Structure Of An Artificial Metalloprotein: Cr[N-salicylidene-4-amino-3-hydroxyhydrocinnamic acid]/Wild Type Heme oxygenase
Descriptor: Heme oxygenase, SODIUM ION, SULFATE ION, ...
Authors:Yokoi, N, Unno, M, Ueno, T, Ikeda-Saito, M, Watanabe, Y.
Deposit date:2007-07-24
Release date:2007-08-28
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Ligand design for the improvement of stability of metal complex.protein hybrids.
Chem.Commun.(Camb.), 2008
2Z6T
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BU of 2z6t by Molmil
Crystal structure of the ferric peroxo myoglobin
Descriptor: Myoglobin, PEROXIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M.
Deposit date:2007-08-08
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory
J.Am.Chem.Soc., 129, 2007
2Z6S
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BU of 2z6s by Molmil
Crystal structure of the oxy myoglobin free from X-ray-induced photoreduction
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M.
Deposit date:2007-08-08
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory
J.Am.Chem.Soc., 129, 2007
3Q30
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BU of 3q30 by Molmil
Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid
Descriptor: (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
3AAD
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BU of 3aad by Molmil
Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction
Descriptor: Histone chaperone ASF1A, SULFATE ION, Transcription initiation factor TFIID subunit 1
Authors:Akai, Y, Adachi, N, Hayashi, Y, Eitoku, M, Sano, N, Natsume, R, Kudo, N, Tanokura, M, Senda, T, Horikoshi, M.
Deposit date:2009-11-16
Release date:2010-04-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction
Proc.Natl.Acad.Sci.USA, 107, 2010
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
3GB2
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BU of 3gb2 by Molmil
GSK3beta inhibitor complex
Descriptor: 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D.
Deposit date:2009-02-18
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
3F7Z
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BU of 3f7z by Molmil
X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor
Descriptor: 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-10
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
4GDO
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BU of 4gdo by Molmil
Structure of a fragment of the rod domain of plectin
Descriptor: Plectin
Authors:De Pereda, J.M, Buey, R.M, Uson, I, Sammito, M.D, De Marino, I.
Deposit date:2012-08-01
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploiting tertiary structure through local folds for crystallographic phasing.
Nat.Methods, 10, 2013
3F88
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BU of 3f88 by Molmil
glycogen synthase Kinase 3beta inhibitor complex
Descriptor: 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-11
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009

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數據於2024-11-06公開中

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