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6AAM
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BU of 6aam by Molmil
Crystal structure of TYK2 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Nomura, N, Tomimoto, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
6AAH
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BU of 6aah by Molmil
Crystal structure of JAK1 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK1
Authors:Amano, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
6AAK
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BU of 6aak by Molmil
Crystal structure of JAK3 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3
Authors:Amano, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
7E0G
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BU of 7e0g by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Descriptor: GLYCEROL, IMIDAZOLE, Lysine-specific histone demethylase 1A, ...
Authors:Oki, H.
Deposit date:2021-01-28
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Sci Adv, 7, 2021
3VPL
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BU of 3vpl by Molmil
Crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 Beta-1,3-xylanase
Descriptor: 3,4-dinitrophenol, Beta-1,3-xylanase XYL4, beta-D-xylopyranose-(1-3)-beta-D-xylopyranose-(1-3)-2-deoxy-2-fluoro-beta-D-xylopyranose, ...
Authors:Watanabe, N, Sakaguchi, K.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 beta-1,3-xylanase at 1.2 A resolution
To be Published
3WXA
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BU of 3wxa by Molmil
X-ray crystal structural analysis of the complex between ALG-2 and Sec31A peptide
Descriptor: Programmed cell death protein 6, Protein transport protein Sec31A, ZINC ION
Authors:Takahashi, T, Suzuki, H, Kawasaki, M, Shibata, H, Wakatsuki, S, Maki, M.
Deposit date:2014-07-29
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analysis of the Complex between Penta-EF-Hand ALG-2 Protein and Sec31A Peptide Reveals a Novel Target Recognition Mechanism of ALG-2
Int J Mol Sci, 16, 2015
2IBX
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BU of 2ibx by Molmil
Influenza virus (VN1194) H5 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Yamada, S, Russell, R.J, Gamblin, S.J, Skehel, J.J, Kawaoka, Y.
Deposit date:2006-09-12
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Haemagglutinin mutations responsible for the binding of H5N1 influenza A viruses to human-type receptors.
Nature, 444, 2006
2DDX
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BU of 2ddx by Molmil
Crystal structure of beta-1,3-xylanase from Vibrio sp. AX-4
Descriptor: GLYCEROL, MAGNESIUM ION, beta-1,3-xylanase
Authors:Sakaguchi, K.
Deposit date:2006-02-06
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Atomic resolution analysis of beta-1,3-xylanase catalytic module from Vibrio sp. AX-4
To be Published
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
1FHG
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BU of 1fhg by Molmil
HIGH RESOLUTION REFINEMENT OF TELOKIN
Descriptor: TELOKIN
Authors:Tomchick, D.R, Minor, W, Kiyatkin, A, Lewinski, K, Somlyo, A.V, Somlyo, A.P.
Deposit date:2000-08-01
Release date:2000-08-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure determination of telokin, the C-terminal domain of myosin light chain kinase, at 2.8 A resolution.
J.Mol.Biol., 227, 1992
3SUS
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BU of 3sus by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with Gal-NAG-thiazoline
Descriptor: (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, Beta-hexosaminidase, SULFATE ION
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3SUW
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BU of 3suw by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with NHAc-CAS
Descriptor: 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, Beta-hexosaminidase, SULFATE ION
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3SUR
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BU of 3sur by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with NAG-thiazoline.
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase, SULFATE ION
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3SUU
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BU of 3suu by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with Gal-PUGNAc
Descriptor: Beta-hexosaminidase, SULFATE ION, [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3SUT
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BU of 3sut by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with PUGNAc
Descriptor: Beta-hexosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, SULFATE ION
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3SUV
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BU of 3suv by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with NHAc-DNJ
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, SULFATE ION
Authors:Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-07-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
3WRI
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BU of 3wri by Molmil
Crystal structure of P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
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 (2.9 Å)
Cite:Structure of P450cam intermediate
To be Published
3WRM
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BU of 3wrm 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 (1.95 Å)
Cite:Structure of P450cam intermedite
To be published
3WRJ
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BU of 3wrj 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 (1.85 Å)
Cite:Structure of P450cam intermedite
to be published
3WRL
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BU of 3wrl 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 (1.65 Å)
Cite:Structure of P450cam intermedite
To be published

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数据于2024-07-24公开中

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