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3X41
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BU of 3x41 by Molmil
Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium bromide
Descriptor: BROMIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
3X3X
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BU of 3x3x by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine
Descriptor: 2-PHENYL-ETHANOL, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
6IP5
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BU of 6ip5 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
3X3Z
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BU of 3x3z by Molmil
Copper amine oxidase from Arthrobacter globiformis: Aminoresorcinol form produced by anaerobic reduction with ethylamine hydrochloride
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
3X40
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BU of 3x40 by Molmil
Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium chloride
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
6JPL
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BU of 6jpl by Molmil
The X-ray structure of yeast tRNA methyltransferase Trm7-Trm734 in complex with S-adenosyl-L-methionine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Hirata, A, Okada, K, Yoshii, K, Shiraisi, H, Saijo, S, Yonezawa, K, Shimizu, N, Hori, H.
Deposit date:2019-03-27
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of tRNA methyltransferase complex of Trm7 and Trm734 reveals a novel binding interface for tRNA recognition.
Nucleic Acids Res., 47, 2019
6J8Y
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BU of 6j8y by Molmil
Crystal structure of the human RAD9-HUS1-RAD1-RHINO complex
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ...
Authors:Hara, K, Iida, N, Sakurai, H, Hashimoto, H.
Deposit date:2019-01-21
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the RAD9-RAD1-HUS1 checkpoint clamp bound to RHINO sheds light on the other side of the DNA clamp.
J.Biol.Chem., 295, 2020
3WRH
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BU of 3wrh by Molmil
Crystal structure of P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of P450cam intermedite
To be Published
6PH4
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BU of 6ph4 by Molmil
Full length LOV-PAS-HK construct from the LOV-HK sensory protein from Brucella abortus (light-adapted, construct 15-489)
Descriptor: Blue-light-activated histidine kinase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
Deposit date:2019-06-25
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
6PH3
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BU of 6ph3 by Molmil
LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273)
Descriptor: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
Authors:Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S.
Deposit date:2019-06-25
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
6PPS
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BU of 6pps by Molmil
A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273)
Descriptor: Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE
Authors:Rinaldi, J, Fernandez, I, Shin, H, Gunawardana, S, Otero, L.H, Cerutti, M.L, Yang, X, Klinke, S, Goldbaum, F.A.
Deposit date:2019-07-08
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.
Mbio, 12, 2021
7T3P
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BU of 7t3p by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active A state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7T3T
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BU of 7t3t by Molmil
IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the active state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7T3Q
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BU of 7t3q by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active B state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7T3U
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BU of 7t3u by Molmil
IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the inactive state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7T3R
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BU of 7t3r by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active C state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7BR0
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BU of 7br0 by Molmil
Crystal structure of AclR, a thioredoxin oxidoreductase fold protein carrying the CXXH catalytic motif
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Pyr_redox_2 domain-containing protein
Authors:Hara, K, Hashimoto, H, Maeda, N, Watanabe, K, Hertweck, C, Tsunematsu, Y.
Deposit date:2020-03-26
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Specialized Flavoprotein Promotes Sulfur Migration and Spiroaminal Formation in Aspirochlorine Biosynthesis.
J.Am.Chem.Soc., 143, 2021
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Descriptor: ORF1a polyprotein
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.067 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
Descriptor: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-16
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
4QVZ
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BU of 4qvz by Molmil
FMRP N-terminal domain
Descriptor: 1,2-ETHANEDIOL, Fragile X mental retardation protein 1
Authors:Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T.
Deposit date:2014-07-16
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.195 Å)
Cite:Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain.
Hum.Mol.Genet., 24, 2015
3X05
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BU of 3x05 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X06
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BU of 3x06 by Molmil
Crystal structure of PIP4KIIBETA T201M complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016

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