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6PE9
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BU of 6pe9 by Molmil
Crystal Structure of CD40 complexed to FAB516
分子名称: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
著者Argiriadi, M.A.
登録日2019-06-20
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
7VWV
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BU of 7vwv by Molmil
The crystal structure of African swine fever virus I73R
分子名称: I73R
著者Shen, Z, Liang, R.
登録日2021-11-11
公開日2022-11-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献African swine fever virus I73R is a critical virulence-related gene: A potential target for attenuation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6LAD
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BU of 6lad by Molmil
Crystal structure of Amuc_1100 from Akkermansia muciniphila
分子名称: Amuc_1100
著者Wang, J, Xiang, R, Zhang, M, Wang, M.
登録日2019-11-12
公開日2020-08-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
6LAF
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BU of 6laf by Molmil
Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila
分子名称: Amuc_1100, SULFATE ION
著者Wang, J, Xiang, R, Zhang, M, Wang, M.
登録日2019-11-12
公開日2020-08-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
4XGY
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BU of 4xgy by Molmil
GFP based antibody (fluorobody)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3
著者Shi, N, Chen, Y.G, Wang, S.H.
登録日2015-01-03
公開日2015-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
3CYT
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BU of 3cyt by Molmil
REDOX CONFORMATION CHANGES IN REFINED TUNA CYTOCHROME C
分子名称: CYTOCHROME C, HEME C
著者Takano, T.
登録日1980-07-01
公開日1980-09-16
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Redox conformation changes in refined tuna cytochrome c.
Proc.Natl.Acad.Sci.USA, 77, 1980
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
分子名称: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
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
5UEX
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BU of 5uex by Molmil
BRD4_BD2_A-1497627
分子名称: 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
分子名称: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEU
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BU of 5ueu by Molmil
BRD4_BD2_A-1107604
分子名称: Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BU of 5uf0 by Molmil
BRD4_BD2-A-35165
分子名称: 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEZ
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BU of 5uez by Molmil
BRD4_BD2_A-1342843
分子名称: 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
4KXF
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BU of 4kxf by Molmil
Crystal structure of NLRC4 reveals its autoinhibition mechanism
分子名称: ADENOSINE-5'-DIPHOSPHATE, NLR family CARD domain-containing protein 4, SULFATE ION
著者Chai, J, Hu, Z.
登録日2013-05-25
公開日2013-07-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of NLRC4 reveals its autoinhibition mechanism
Science, 341, 2013
8FSJ
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BU of 8fsj by Molmil
Cryo-EM structure of engineered hepatitis C virus E1E2 ectodomain in complex with antibodies AR4A, HEPC74, and IGH520
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, AR4A heavy chain, ...
著者Metcalf, M.C, Ofek, G.
登録日2023-01-10
公開日2023-07-19
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structure of engineered hepatitis C virus E1E2 ectodomain in complex with neutralizing antibodies.
Nat Commun, 14, 2023
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H.
登録日2020-02-27
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
4D90
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BU of 4d90 by Molmil
Crystal Structure of Del-1 EGF domains
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Chen, Q, Schurpf, T, Springer, T, Wang, J.
登録日2012-01-11
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献The RGD finger of Del-1 is a unique structural feature critical for integrin binding.
Faseb J., 26, 2012
7CZP
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BU of 7czp by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A1
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, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, 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 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
7CZQ
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BU of 7czq by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A10
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, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, 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 (2.8 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

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