5C7D
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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3I8R
 | | 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
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3QXM
 | | 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: | 2023-11-01 | | 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
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1IW0
 | | 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
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1IW1
 | | 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
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1SR5
 | | 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
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5EZU
 | | Crystal structure of the N-terminal domain of vaccinia virus immunomodulator A46 in complex with myristic acid. | | Descriptor: | MYRISTIC ACID, Protein A46 | | Authors: | Fedosyuk, S, Bezerra, G.A, Sammito, M, Uson, I, Skern, T. | | Deposit date: | 2015-11-26 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins.
PLoS Pathog., 12, 2016
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5G0I
 | | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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5G0F
 | | Crystal structure of Danio rerio HDAC6 ZnF-UBP domain | | Descriptor: | GLYCINE, HDAC6, NICKEL (II) ION, ... | | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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2ZNS
 | | 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
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2ZNU
 | | 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
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2ZNT
 | | 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
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2Z68
 | | 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
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2Z6T
 | | 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
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2Z6S
 | | 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
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3V66
 | | 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
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3Q30
 | | 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
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3Q2Z
 | | 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
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3AAD
 | | 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
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3ASX
 | | Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid | | Descriptor: | (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | | Deposit date: | 2010-12-22 | | 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
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1IOT
 | | 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 (1.75 Å) | | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
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1IOR
 | | 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 (1.76 Å) | | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
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1IOQ
 | | 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
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1IOS
 | | 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 (1.76 Å) | | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation.
Protein Sci., 10, 2001
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