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8I7Q
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BU of 8i7q by Molmil
Cobalt and Calcium coordinated Concanavalin A at pH 7.4 from Canavalia ensiformis
分子名称: CALCIUM ION, COBALT (II) ION, Concanavalin A
著者Hwang, Y, Jeong, J.H, Lee, S.J.
登録日2023-02-01
公開日2023-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Selective interactions of Co 2+ -Ca 2+ -concanavalin A with high mannose N -glycans.
Dalton Trans, 53, 2024
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
登録日2020-02-07
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
5E6F
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BU of 5e6f by Molmil
Canarypox virus resolvase
分子名称: CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION
著者Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D.
登録日2015-10-09
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
1HYV
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HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM
分子名称: CHLORIDE ION, INTEGRASE, SULFATE ION, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
1HYZ
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HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM.
分子名称: (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
2H7F
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BU of 2h7f by Molmil
Structure of variola topoisomerase covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
2H7G
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BU of 2h7g by Molmil
Structure of variola topoisomerase non-covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
5HOT
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BU of 5hot by Molmil
Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase
分子名称: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase
著者Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D.
登録日2016-01-19
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
3BIY
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BU of 3biy by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: BROMIDE ION, Histone acetyltransferase p300, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
著者Liu, X, Wang, L, Zhao, K, Thompson, P.R, Hwang, Y, Marmorstein, R, Cole, P.A.
登録日2007-12-02
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structural basis of protein acetylation by the p300/CBP transcriptional coactivator
Nature, 451, 2008
3IGC
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BU of 3igc by Molmil
Smallpox virus topoisomerase-DNA transition state
分子名称: 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ...
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2009-07-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
4OJR
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BU of 4ojr by Molmil
Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264
分子名称: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ...
著者Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D.
登録日2014-01-21
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS.
J.Biol.Chem., 289, 2014
7MMO
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BU of 7mmo by Molmil
LY-CoV1404 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2021-04-30
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.427 Å)
主引用文献LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
8CT5
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BU of 8ct5 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K)
分子名称: Integrase, SULFATE ION
著者Gupta, K, Van Duyne, G.D, Eilers, G.
登録日2022-05-13
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CT7
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BU of 8ct7 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
分子名称: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ...
著者Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
登録日2022-05-13
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CTA
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BU of 8cta by Molmil
Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains
分子名称: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase
著者Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
登録日2022-05-13
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMH
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LY-CoV488 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMI
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LY-CoV481 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7L3N
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SARS-CoV 2 Spike Protein bound to LY-CoV555
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, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
5HRR
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HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HRP
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BU of 5hrp by Molmil
HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HRS
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HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HRN
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BU of 5hrn by Molmil
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-23
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
7YGK
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BU of 7ygk by Molmil
Crystal structure of a secretory phospholipase A2 from Sciscionella marina
分子名称: phospholipase A2
著者Kang, B.G, Cha, S.S.
登録日2022-07-11
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural and functional characterization of a thermostable secretory phospholipase A 2 from Sciscionella marina and its application in liposome biotransformation.
Acta Crystallogr D Struct Biol, 79, 2023
6L2U
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Soluble methane monooxygenase reductase FAD-binding domain from Methylosinus sporium.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methane monooxygenase
著者Park, J.H, Ha, S.C, Rao, Z, Yoo, H, Yoon, C, Kim, S.Y, Kim, D.S, Lee, S.J.
登録日2019-10-07
公開日2021-03-03
最終更新日2021-12-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidation of the electron transfer environment in the MMOR FAD-binding domain from Methylosinus sporium 5.
Dalton Trans, 50, 2021

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