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7N0X
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BU of 7n0x by Molmil
Rhesusized RV144 DH827 Fab bound to HIV-1 Env V2 peptide
分子名称: DI(HYDROXYETHYL)ETHER, Glycoprotein 120, Rhesusized RV144 DH827 heavy chain Fab fragment, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-05-26
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
7N8Q
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BU of 7n8q by Molmil
Rhesusized RV305 DH677.3 Fab bound to Clade A/E 93TH057 HIV-1 gp120 core.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, Rhesusized DH677.3 FAB HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-06-15
公開日2022-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
分子名称: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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
7C02
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BU of 7c02 by Molmil
Crystal structure of dimeric MERS-CoV receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Dai, L, Qi, J, Gao, G.F.
登録日2020-04-30
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
1ZBP
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BU of 1zbp by Molmil
X-Ray Crystal Structure of Protein VPA1032 from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR44
分子名称: hypothetical protein VPA1032
著者Forouhar, F, Yong, W, Vorobiev, S.M, Ciao, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-04-08
公開日2005-04-19
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
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
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
分子名称: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
著者Petersen, J.
登録日2021-05-12
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OIJ
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BU of 7oij by Molmil
mPI3Kd in complex with an inhibitor
分子名称: 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ...
著者Petersen, J.
登録日2021-05-11
公開日2021-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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
7EPW
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BU of 7epw by Molmil
Crystal structure of monooxygenase Tet(X4) with tigecycline
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, TIGECYCLINE
著者Cheng, Q, Chen, S.
登録日2021-04-28
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
7EPV
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BU of 7epv by Molmil
Crystal structure of tigecycline degrading monooxygenase Tet(X4)
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, GLYCEROL
著者Cheng, Q, Chen, S.
登録日2021-04-27
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
8J4U
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BU of 8j4u by Molmil
Structure of HerA-Sir2 complex from Escherichia coli Nezha system
分子名称: MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Chen, Q, Yu, Y.
登録日2023-04-20
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Multiple enzymatic activities of a Sir2-HerA system cooperate for anti-phage defense.
Mol.Cell, 83, 2023
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
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, Spike glycoprotein
著者Xu, J, Song, Y, Li, S.
登録日2022-06-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YKF
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BU of 7ykf by Molmil
Crystal structure of MAGI2 PDZ0-GK/pEphexin4 complex
分子名称: Ephexin4, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2
著者Zhang, M, Lin, L, Zhu, J.
登録日2022-07-22
公開日2023-08-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKI
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BU of 7yki by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR3 peptide
分子名称: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
著者Zhang, M, Lin, L, Zhu, J.
登録日2022-07-22
公開日2023-08-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKG
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BU of 7ykg by Molmil
Crystal structure of MAGI2 PDZ0-GK/pSGEF complex
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, SGEF
著者Zhang, M, Lin, L, Zhu, J.
登録日2022-07-22
公開日2023-08-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKH
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BU of 7ykh by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR2 peptide
分子名称: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
著者Zhang, M, Lin, L, Zhu, J.
登録日2022-07-22
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
6E3M
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BU of 6e3m by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3N
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BU of 6e3n by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3O
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BU of 6e3o by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3P
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BU of 6e3p by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-14
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4C
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BU of 6e4c by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
登録日2018-07-17
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4Y
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Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
分子名称: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019

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