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7DQA
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BU of 7dqa by Molmil
Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
著者Wang, J, Lan, J, Wang, X.Q, Wang, H.W.
登録日2020-12-22
公開日2021-12-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
登録日2021-03-02
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
7FJG
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BU of 7fjg by Molmil
Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
分子名称: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, NADH-dependent butanol dehydrogenase A
著者Bai, X, Lan, J, Wang, L, Bu, T, Xu, Y.
登録日2021-08-03
公開日2022-06-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
To Be Published
7F5R
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BU of 7f5r by Molmil
Crystal structure of SARS-CoV-2 Y453F-RBD bound to mink ACE2
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 protein S1, ...
著者Wang, X.Q, Ding, Q, Lan, J, Ren, W.L.
登録日2021-06-22
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal structure of SARS-CoV-2 Y453F-RBD bound to mink ACE2
To Be Published
7FJC
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BU of 7fjc by Molmil
Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab
分子名称: P36-5D2 heavy chain, P36-5D2 light chain, Spike protein S1, ...
著者Zhang, L.Q, Wang, X.Q, Shan, S.S, Lan, J.
登録日2021-08-03
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab
To Be Published
8C89
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BU of 8c89 by Molmil
SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab)
分子名称: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
登録日2023-01-19
公開日2024-01-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.41 Å)
主引用文献A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
6W7M
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BU of 6w7m by Molmil
30S-Inactive-high-Mg2+ + carbon layer
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
登録日2020-03-19
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6W7N
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BU of 6w7n by Molmil
30S-Inactive-low-Mg2+ Class A
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S12, ...
著者Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
登録日2020-03-19
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6W77
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BU of 6w77 by Molmil
30S-Inactivated-high-Mg2+ Class A
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
登録日2020-03-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6W7W
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BU of 6w7w by Molmil
30S-Inactive-low-Mg2+ Class B
分子名称: 16S rRNA, 30S ribosomal protein S12, 30S ribosomal protein S15, ...
著者Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
登録日2020-03-19
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
6W6K
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BU of 6w6k by Molmil
30S-Activated-high-Mg2+
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
登録日2020-03-17
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
7ONS
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BU of 7ons by Molmil
PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
分子名称: 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONT
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BU of 7ont by Molmil
PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
分子名称: 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONR
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BU of 7onr by Molmil
PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9)
分子名称: 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
2F76
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BU of 2f76 by Molmil
Solution structure of the M-PMV wild type matrix protein (p10)
分子名称: Core protein p10
著者Vlach, J, Lipov, J, Veverka, V, Lang, J, Srb, P, Rumlova, M, Hunter, E, Ruml, T, Hrabal, R.
登録日2005-11-30
公開日2006-12-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献D-retrovirus morphogenetic switch driven by the targeting signal accessibility to Tctex-1 of dynein.
Proc.Natl.Acad.Sci.USA, 105, 2008
2F77
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BU of 2f77 by Molmil
Solution structure of the R55F mutant of M-PMV matrix protein (p10)
分子名称: Core protein p10
著者Vlach, J, Lipov, J, Veverka, V, Lang, J, Srb, P, Rumlova, M, Hunter, E, Ruml, T, Hrabal, R.
登録日2005-11-30
公開日2006-12-05
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献D-retrovirus morphogenetic switch driven by the targeting signal accessibility to Tctex-1 of dynein.
Proc.Natl.Acad.Sci.USA, 105, 2008
2K7Q
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BU of 2k7q by Molmil
Filamin A Ig-like domains 18-19
分子名称: Filamin-A
著者Heikkinen, O.K, Kilpelainen, I, Koskela, H, Permi, P, Heikkinen, S, Ylanne, J.
登録日2008-08-19
公開日2009-07-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Atomic structures of two novel immunoglobulin-like domain pairs in the actin cross-linking protein filamin
J.Biol.Chem., 284, 2009
2J3S
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BU of 2j3s by Molmil
Crystal structure of the human filamin A Ig domains 19 to 21
分子名称: 1,4-DIETHYLENE DIOXIDE, BROMIDE ION, FILAMIN-A, ...
著者Kiema, T.-R, Ylanne, J.
登録日2006-08-23
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Three Tandem Filamin Domains Reveals Auto-Inhibition of Ligand-Binding.
Embo J., 26, 2007
6QI5
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BU of 6qi5 by Molmil
Near Atomic Structure of an Atadenovirus Shows a possible gene duplication event and Intergenera Variations in Cementing Proteins
分子名称: Hexon protein, PIIIa, Penton protein, ...
著者Condezo, G.N, Marabini, R, Gomez-Blanco, J, SanMartin, C.
登録日2019-01-17
公開日2020-08-05
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Near-atomic structure of an atadenovirus reveals a conserved capsid-binding motif and intergenera variations in cementing proteins.
Sci Adv, 7, 2021
7UCX
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BU of 7ucx by Molmil
LRP8 11H1 Fab complexed to a cyclized CR1 peptide
分子名称: 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ...
著者Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A.
登録日2022-03-17
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
2LJR
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BU of 2ljr by Molmil
GLUTATHIONE TRANSFERASE APO-FORM FROM HUMAN
分子名称: GLUTATHIONE S-TRANSFERASE
著者Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W.
登録日1998-03-08
公開日1999-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
2K7P
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BU of 2k7p by Molmil
Filamin A Ig-like domains 16-17
分子名称: Filamin-A
著者Heikkinen, O.K, Kilpelainen, I, Koskela, H, Permi, P, Heikkinen, S, Ylanne, J.
登録日2008-08-19
公開日2009-07-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Atomic structures of two novel immunoglobulin-like domain pairs in the actin cross-linking protein filamin
J.Biol.Chem., 284, 2009
2L38
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BU of 2l38 by Molmil
R29Q Sticholysin II mutant
分子名称: Sticholysin-2
著者Castrillo, I, Alegre-Cebollada, J, Martinez-del-Pozo, A, Gavilanes, J, Bruix, M.
登録日2010-09-10
公開日2010-09-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR Structure of StnIIR29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II
To be Published
6Y33
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BU of 6y33 by Molmil
Streptavidin mutant S112R with a biotC5-1 cofactor - an artificial iron hydroxylase
分子名称: GLYCEROL, Streptavidin, biotC5-1 cofactor
著者Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R.
登録日2020-02-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
6Y2M
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BU of 6y2m by Molmil
Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase
分子名称: Streptavidin, biotC4-1 cofactor
著者Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R.
登録日2020-02-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020

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