4YCM
 
 | | Crystal structure of the calcium pump with bound marine macrolide BLS | | Descriptor: | (4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ... | | Authors: | Morita, M, Ogawa, H, Ohno, O, Yamori, T, Suenaga, K, Toyoshima, C. | | Deposit date: | 2015-02-20 | | Release date: | 2016-01-13 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biselyngbyasides, cytotoxic marine macrolides, are novel and potent inhibitors of the Ca(2+) pumps with a unique mode of binding
Febs Lett., 589, 2015
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6LL8
 | | Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mg-PNP form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, FLUORIDE ION, ... | | Authors: | Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K. | | Deposit date: | 2019-12-21 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
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6LL7
 | | Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mn-activated form | | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, MANGANESE (II) ION | | Authors: | Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K. | | Deposit date: | 2019-12-21 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
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4YCN
 | | Crystal structure of the calcium pump with bound marine macrolide BLLB | | Descriptor: | (4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ... | | Authors: | Morita, M, Ogawa, H, Ohno, O, Yamori, T, Suenaga, K, Toyoshima, C. | | Deposit date: | 2015-02-20 | | Release date: | 2016-01-13 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Biselyngbyasides, cytotoxic marine macrolides, are novel and potent inhibitors of the Ca(2+) pumps with a unique mode of binding
Febs Lett., 589, 2015
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4U72
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | Deposit date: | 2014-07-30 | | Release date: | 2015-09-02 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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4U74
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | Deposit date: | 2014-07-30 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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1CKK
 | | CALMODULIN/RAT CA2+/CALMODULIN DEPENDENT PROTEIN KINASE FRAGMENT | | Descriptor: | CALCIUM ION, Calcium/calmodulin-dependent protein kinase kinase 1, Calmodulin-1 | | Authors: | Osawa, M, Tokumitsu, H, Swindells, M.B, Kurihara, H, Orita, M, Shibanuma, T, Furuya, T, Ikura, M. | | Deposit date: | 1998-11-20 | | Release date: | 1999-09-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A novel target recognition revealed by calmodulin in complex with Ca2+-calmodulin-dependent kinase kinase.
Nat.Struct.Biol., 6, 1999
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3W4K
 | | Crystal Structure of human DAAO in complex with coumpound 13 | | Descriptor: | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | | Deposit date: | 2013-01-09 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
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3W4J
 | | Crystal Structure of human DAAO in complex with coumpound 12 | | Descriptor: | 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | | Deposit date: | 2013-01-09 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
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3W4I
 | | Crystal Structure of human DAAO in complex with coumpound 8 | | Descriptor: | D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, pyridine-2,3-diol | | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | | Deposit date: | 2013-01-09 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
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3DJU
 | | Crystal structure of human BTG2 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
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3DJN
 | | Crystal structure of mouse TIS21 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
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3NGO
 | | Crystal structure of the human CNOT6L nuclease domain in complex with poly(A) DNA | | Descriptor: | 5'-D(*AP*AP*AP*A)-3', CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | | Deposit date: | 2010-06-12 | | Release date: | 2010-07-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
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3NGQ
 | | Crystal structure of the human CNOT6L nuclease domain | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | | Deposit date: | 2010-06-13 | | Release date: | 2010-07-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
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3NGN
 | | Crystal structure of the human CNOT6L nuclease domain in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like | | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | | Deposit date: | 2010-06-12 | | Release date: | 2010-07-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
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7W47
 | | Crystal structure of the gastric proton pump complexed with tegoprazan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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7W4A
 | | Cryo-EM structure of the gastric proton pump complexed with revaprazan | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | | Deposit date: | 2021-11-26 | | Release date: | 2022-03-02 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump.
J.Med.Chem., 65, 2022
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1GCZ
 | | MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR. | | Descriptor: | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER, CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, ... | | Authors: | Katayama, N, Kurihara, H. | | Deposit date: | 2000-08-24 | | Release date: | 2001-02-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography.
J.Med.Chem., 44, 2001
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1GD0
 | | HUMAN MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) | | Descriptor: | CITRIC ACID, MACROPHAGE MIGRATION INHIBITORY FACTOR, SULFATE ION | | Authors: | Kurihara, H, Katayama, N. | | Deposit date: | 2000-08-24 | | Release date: | 2001-02-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography.
J.Med.Chem., 44, 2001
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5B1S
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine | | Descriptor: | 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Sci Rep, 7, 2017
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3D5F
 | | Crystal Structure of PPAR-delta complex | | Descriptor: | Peroxisome proliferator-activated receptor delta, {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | | Authors: | Amano, Y. | | Deposit date: | 2008-05-16 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death
to be published
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5Y4Q
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine | | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-(4-methoxyphenyl)quinolin-4-amine, Spermidine synthase, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2017-08-04 | | Release date: | 2018-08-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
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5Y4P
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol | | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol, Spermidine synthase, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2017-08-04 | | Release date: | 2018-08-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography.
Acs Omega, 8, 2023
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1IQ5
 | | Calmodulin/nematode CA2+/Calmodulin dependent kinase kinase fragment | | Descriptor: | CA2+/CALMODULIN DEPENDENT KINASE KINASE, CALCIUM ION, CALMODULIN | | Authors: | Kurokawa, H, Osawa, M, Kurihara, H, Katayama, N, Tokumitsu, H, Swindells, M.B, Kainosho, M, Ikura, M. | | Deposit date: | 2001-06-14 | | Release date: | 2001-09-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target-induced conformational adaptation of calmodulin revealed by the crystal structure of a complex with nematode Ca(2+)/calmodulin-dependent kinase kinase peptide
J.Mol.Biol., 312, 2001
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2ZB2
 | | Human liver glycogen phosphorylase a complexed with glcose and 5-chloro-N-[4-(1,2-dihydroxyethyl)phenyl]-1H-indole-2-carboxamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide, ... | | Authors: | Katayama, N, Onda, K. | | Deposit date: | 2007-10-15 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives as inhibitors of human liver glycogen phosphorylase a.
Bioorg.Med.Chem., 16, 2008
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