2EAQ
 
 | | Crystal structure of PDZ domain of KIAA0858 (LIM), MS0793 from Homo sapiens | | Descriptor: | LIM domain only protein 7, NICKEL (II) ION | | Authors: | Xie, Y, Kishishita, S, Murayama, K, Takemoto, C, Shirozu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-01-31 | | Release date: | 2007-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal structure of PDZ domain of KIAA0858 (LIM), MS0793 from Homo sapiens
To be Published
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2EF1
 | | Crystal structure of the extracellular domain of human CD38 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADP-ribosyl cyclase 1 | | Authors: | Kukimoto-Niino, M, Nureki, O, Murayama, K, Shirouzu, M, Katada, T, Hara-Yokoyama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-20 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the extracellular domain of human CD38
To be Published
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2DX6
 | | Crystal structure of conserved hypothetical protein, TTHA0132 from Thermus thermophilus HB8 | | Descriptor: | ACETATE ION, Hypothetical protein TTHA0132, ISOPROPYL ALCOHOL | | Authors: | Kishishita, S, Murayama, K, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-24 | | Release date: | 2007-02-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of conserved hypothetical protein, TTHA0132 from Thermus thermophilus HB8
To be Published
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8I3Y
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA. | | Descriptor: | CALCIUM ION, SUCCINIC ACID, SUCCINYL-COENZYME A, ... | | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
To Be Published
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8I40
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with CoA. | | Descriptor: | ACETATE ION, CALCIUM ION, COENZYME A, ... | | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT.
To Be Published
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6LP1
 | | Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei. | | Descriptor: | CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase | | Authors: | Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K. | | Deposit date: | 2020-01-08 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Biochim Biophys Acta Bioenerg, 1861, 2020
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1WEK
 | | Crystal structure of the conserved hypothetical protein TT1465 from Thermus thermophilus HB8 | | Descriptor: | PHOSPHATE ION, hypothetical protein TT1465 | | Authors: | Kukimoto-Niino, M, Murayama, K, Kato-Murayama, M, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-25 | | Release date: | 2004-11-25 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of possible lysine decarboxylases from Thermus thermophilus HB8
Protein Sci., 13, 2004
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7V3D
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2CYE
 | | Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8 | | Descriptor: | COENZYME A, Putative thioesterase, ZINC ION | | Authors: | Hosaka, T, Kato-Murayama, M, Murayama, K, Kishishita, S, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-06 | | Release date: | 2006-01-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the putative thioesterase protein TTHA1846 from Thermus thermophilus HB8 complexed with coenzyme A and a zinc ion.
Acta Crystallogr.,Sect.D, 65, 2009
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5Y7Z
 | | Complex structure of cyclin G-associated kinase with gefitinib | | Descriptor: | Cyclin-G-associated kinase, Gefitinib, NANOBODY, ... | | Authors: | Ohbayashi, N, Murayama, K, Kato-Murayama, M, Shirouzu, M. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Structural Basis for the Inhibition of Cyclin G-Associated Kinase by Gefitinib.
ChemistryOpen, 7, 2018
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2DY9
 | | Crystal structure of nucleoside diphosphate kinase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Kato-Murayama, M, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-08 | | Release date: | 2007-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of nucleoside diphosphate kinase in complex with ADP
To be Published
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7UPG
 | | Tau Paired Helical Filament from Alzheimer's Disease incubated with EGCG for 3 hours | | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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2E0T
 | | Crystal structure of catalytic domain of dual specificity phosphatase 26, MS0830 from Homo sapiens | | Descriptor: | Dual specificity phosphatase 26 | | Authors: | Xie, Y, Kishishita, S, Murayama, K, Hori-Takemoto, C, Chen, L, Liu, Z.J, Wang, B.C, Shirozu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-10-13 | | Release date: | 2007-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | High-resolution crystal structure of the catalytic domain of human dual-specificity phosphatase 26.
Acta Crystallogr.,Sect.D, 69, 2013
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5Y80
 | | Complex structure of cyclin G-associated kinase with gefitinib | | Descriptor: | Cyclin-G-associated kinase, Gefitinib, NANOBODY | | Authors: | Ohbayashi, N, Murayama, K, Kato-Murayama, M, Shirouzu, M. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for the Inhibition of Cyclin G-Associated Kinase by Gefitinib.
ChemistryOpen, 7, 2018
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7UPE
 | | Tau Paired Helical Filament from Alzheimer's Disease not incubated with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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7UPF
 | | Tau Paired Helical Filament from Alzheimer's Disease incubated 1 hr. with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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2CWK
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2DXF
 | | Crystal structure of nucleoside diphosphate kinase in complex with GTP analog | | Descriptor: | CHLORIDE ION, Nucleoside diphosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Kato-Murayama, M, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-25 | | Release date: | 2007-02-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of nucleoside diphosphate kinase in complex with GTP analog
To be Published
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1WXX
 | | Crystal structure of Tt1595, a putative SAM-dependent methyltransferase from Thermus thermophillus HB8 | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, hypothetical protein TTHA1280 | | Authors: | Pioszak, A.A, Murayama, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-02-02 | | Release date: | 2005-08-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of a putative RNA 5-methyluridine methyltransferase, Thermus thermophilus TTHA1280, and its complex with S-adenosyl-L-homocysteine.
Acta Crystallogr.,Sect.F, 61, 2005
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8WTQ
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid | | Descriptor: | 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
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8WTR
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid | | Descriptor: | (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
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7YM0
 | | Lysoplasmalogen-specific phospholipase D (LyPls-PLD) with Ca2+ | | Descriptor: | CALCIUM ION, Lysoplasmalogenase | | Authors: | Yasutake, Y, Sakasegawa, S, Sugimori, D, Murayama, K. | | Deposit date: | 2022-07-27 | | Release date: | 2023-01-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
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7JKV
 | | Crystal Structure of SARS-CoV-2 main protease in complex with an inhibitor GRL-2420 | | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, PENTAETHYLENE GLYCOL | | Authors: | Bulut, H, Hattori, S.I, Das, D, Murayama, K, Mitsuya, H. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 12, 2021
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1WDE
 | | Crystal structure of the conserved hypothetical protein APE0931 from Aeropyrum pernix K1 | | Descriptor: | Probable diphthine synthase | | Authors: | Kishishita, S, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-13 | | Release date: | 2004-11-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of two archaeal diphthine synthases: insights into the post-translational modification of elongation factor 2.
Acta Crystallogr.,Sect.D, 64, 2008
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2CZL
 | | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8 (Cys11 modified with beta-mercaptoethanol) | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | Authors: | Arai, R, Nishino, A, Nagano, K, Kamo-Uchikubo, T, Nishimoto, M, Toyama, M, Terada, T, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-13 | | Release date: | 2006-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8.
J.Struct.Biol., 168, 2009
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