2EB9
 
 | | Crystal Structure of Cu(II)(Sal-Leu)/apo-Myoglobin | | Descriptor: | (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II), GLYCEROL, Myoglobin, ... | | Authors: | Abe, S, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Watanabe, Y. | | Deposit date: | 2007-02-07 | | Release date: | 2007-07-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Structure Analysis of Artificial Metalloproteins: Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in the apo-Myoglobin Scaffold
Inorg.Chem., 46, 2007
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1LJT
 | | Crystal Structure of Macrophage Migration Inhibitory Factor complexed with (S,R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester (ISO-1) | | Descriptor: | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER, Macrophage migration inhibitory factor | | Authors: | Lubetsky, J.B, Dios, A, Han, J, Aljabari, B, Ruzsicska, B, Mitchell, R, Lolis, E, Al-Abed, Y. | | Deposit date: | 2002-04-22 | | Release date: | 2002-11-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Tautomerase Active Site of Macrophage Migration Inhibitory factor is a Potential Target for Discovery of Novel Anti-inflammatory Agents
J.Biol.Chem., 277, 2002
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2OOW
 | | MIF Bound to a Fluorinated OXIM Derivative | | Descriptor: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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2OOZ
 | | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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2OOH
 | | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-25 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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4K9G
 | | 1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound | | Descriptor: | (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one, CHLORIDE ION, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E.J. | | Deposit date: | 2013-04-19 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ISO-66, a novel inhibitor of macrophage migration, shows efficacy in melanoma and colon cancer models.
INT J ONCOL., 45, 2014
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5JR8
 | | Disposal of Iron by a Mutant form of Siderocalin NGAL | | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
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2DQA
 | | Crystal Structure of Tapes japonica Lysozyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme, PLATINUM (II) ION, ... | | Authors: | Goto, T, Kakuta, Y, Abe, Y, Takeshita, K, Imoto, T, Ueda, T. | | Deposit date: | 2006-05-24 | | Release date: | 2007-06-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Tapes japonica Lysozyme with Substrate Analogue: STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND MANIFESTATION OF ITS CHITINASE ACTIVITY ACCOMPANIED BY QUATERNARY STRUCTURAL CHANGE
J.Biol.Chem., 282, 2007
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1WDY
 | | Crystal structure of ribonuclease | | Descriptor: | 2-5A-dependent ribonuclease, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE | | Authors: | Tanaka, N, Nakanishi, M, Kusakabe, Y, Goto, Y, Kitade, Y, Nakamura, K.T. | | Deposit date: | 2004-05-19 | | Release date: | 2004-10-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for recognition of 2',5'-linked oligoadenylates by human ribonuclease L
Embo J., 23, 2004
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4LMU
 | | Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002) | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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4WCO
 | | Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A | | Descriptor: | ACETATE ION, C-type lectin domain family 2 member D, SULFATE ION, ... | | Authors: | Kita, S, Matsubara, H, Kasai, Y, Tamaoki, T, Okabe, Y, Fukuhara, H, Kamishikiryo, J, Ose, T, Kuroki, K, Maenaka, K. | | Deposit date: | 2014-09-05 | | Release date: | 2015-06-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A
Eur.J.Immunol., 45, 2015
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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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1WZF
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WZD
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-CH2CH2COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4WR5
 | | Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1) | | Descriptor: | GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION | | Authors: | Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K. | | Deposit date: | 2014-10-23 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Protein stabilization utilizing a redefined codon
Sci Rep, 5, 2015
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6ILI
 | | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 6.5 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2018-10-18 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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6IN1
 | | Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, ... | | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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6IN2
 | | Crystal structure of BRD1 in complex with 18-Crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1 | | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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6J9Q
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP. | | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
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5YHJ
 | | Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | | Descriptor: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-09-28 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids
Catalysis Science And Technology, 2017
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5GHI
 | | Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.211 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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5GHO
 | | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8-oxo-dGTP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.191 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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5GHN
 | | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.391 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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5GHM
 | | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 7.0 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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5GHQ
 | | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP under high concentrations of 2-oxo-dATP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.181 Å) | | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
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