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5HDV
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BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5ZO0
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BU of 5zo0 by Molmil
Neutron structure of xylanase at pD5.4
分子名称: Endo-1,4-beta-xylanase 2
著者Wan, Q, Li, Z.H.
登録日2018-04-12
公開日2019-05-15
最終更新日2023-11-22
実験手法NEUTRON DIFFRACTION (1.648 Å)
主引用文献Neutron structure of xylanase at pD5.4
To be published
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
分子名称: CALCIUM ION, Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
6WIQ
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BU of 6wiq by Molmil
Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2
分子名称: Non-structural protein 7, Non-structural protein 8
著者Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-10
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
6WQD
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BU of 6wqd by Molmil
The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
著者Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
分子名称: Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
8UUZ
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BU of 8uuz by Molmil
Campylobacter jejuni CosR apo form
分子名称: DNA-binding response regulator
著者Zhang, Z.
登録日2023-11-02
公開日2024-01-31
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UVX
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CosR DNA bound form I
分子名称: DNA (5'-D(*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*TP*TP*TP*GP*GP*TP*TP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*T)-3'), DNA-binding response regulator
著者Zhang, Z.
登録日2023-11-05
公開日2024-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UVK
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CosR DNA bound form II
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*T)-3'), ...
著者Zhang, Z.
登録日2023-11-03
公開日2024-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
6XIP
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BU of 6xip by Molmil
The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
著者Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-20
公開日2020-07-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
7KJS
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BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
分子名称: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者McTigue, M.A, He, Y, Ferre, R.A.
登録日2020-10-26
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7D0C
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BU of 7d0c by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3A1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3A1, ...
著者Yan, R.H, Wang, R.K, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D0B
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BU of 7d0b by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3C12_1B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ...
著者Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D0D
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BU of 7d0d by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ...
著者Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
分子名称: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
分子名称: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
7FAE
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BU of 7fae by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2(state2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ...
著者Zhang, L, Wang, X, Shan, S, Zhang, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
7FAF
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BU of 7faf by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1)
分子名称: P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein
著者Zhang, L, Wang, X, Zhang, S, Shan, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
5XXI
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Crystal structure of CYP2C9 in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-07-04
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
5X23
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Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
5YMU
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BU of 5ymu by Molmil
Functional and structural characterization of P[19] rotavirus VP8* interaction with histo-blood group antigens
分子名称: GLYCEROL, Outer capsid protein VP4
著者Sun, X, Duan, Z.
登録日2017-10-22
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycan Binding Specificity and Mechanism of Human and Porcine P[6]/P[19] Rotavirus VP8*s.
J. Virol., 92, 2018
5WBG
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Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-06-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
5WQN
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Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
分子名称: Probable dehydrogenase
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5YSX
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Structure of P domain of GII.2 Noroviruses
分子名称: VP1
著者Duan, Z, Ao, Y.
登録日2017-11-16
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.202 Å)
主引用文献Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018

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