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7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-25
公開日2021-07-21
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-09-28
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
5YAO
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BU of 5yao by Molmil
The complex structure of SZ529 and expoxid
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION
著者Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T.
登録日2017-09-01
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
6J1Q
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BU of 6j1q by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - RS
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
6J1S
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BU of 6j1s by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - SS
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
6J1T
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BU of 6j1t by Molmil
Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue
分子名称: (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
著者Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
登録日2017-10-24
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
登録日2017-11-07
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
6J1P
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BU of 6j1p by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - SR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
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 Fab S2X259 Fab variable domain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-30
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-01
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
8YSA
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BU of 8ysa by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
分子名称: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
著者Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
登録日2024-03-22
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Luo, S, Ju, Y, Zhou, H.
登録日2019-02-23
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
3NMW
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BU of 3nmw by Molmil
Crystal structure of armadillo repeats domain of APC
分子名称: APC variant protein, SULFATE ION
著者Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G.
登録日2010-06-22
公開日2011-07-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
8VXY
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BU of 8vxy by Molmil
Structure of HamA(E138A,K140A)B-plasmid DNA complex from the Escherichia coli Hachiman defense system
分子名称: ADENOSINE-5'-TRIPHOSPHATE, HamA, HamB, ...
著者Tuck, O.T, Hu, J.J, Doudna, J.A.
登録日2024-02-06
公開日2024-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VX9
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BU of 8vx9 by Molmil
Structure of HamAB apo complex from the Escherichia coli Hachiman defense system
分子名称: HamA, HamB
著者Tuck, O.T, Doudna, J.A.
登録日2024-02-03
公開日2024-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VXC
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BU of 8vxc by Molmil
Structure of HamB-DNA complex, conformation 2, from the Escherichia coli Hachiman defense system
分子名称: DNA (40-MER), HamB
著者Tuck, O.T, Doudna, J.A.
登録日2024-02-04
公開日2024-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VXA
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BU of 8vxa by Molmil
Structure of HamB-DNA complex, conformation 1, from the Escherichia coli Hachiman defense system
分子名称: DNA (40-MER), HamB
著者Tuck, O.T, Doudna, J.A.
登録日2024-02-03
公開日2024-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Hachiman is a genome integrity sensor.
Biorxiv, 2024
9BEI
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BU of 9bei by Molmil
Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody
分子名称: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ...
著者Vecchio, A.J.
登録日2024-04-15
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins
To be published
1D4B
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BU of 1d4b by Molmil
CIDE-N DOMAIN OF HUMAN CIDE-B
分子名称: HUMAN CELL DEATH-INDUCING EFFECTOR B
著者Lugovskoy, A, Zhou, P, Chou, J, McCarty, J, Li, P, Wagner, G.
登録日1999-10-02
公開日1999-12-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the CIDE-N domain of CIDE-B and a model for CIDE-N/CIDE-N interactions in the DNA fragmentation pathway of apoptosis.
Cell(Cambridge,Mass.), 99, 1999
3N80
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BU of 3n80 by Molmil
Human mitochondrial aldehyde dehydrogenase, apo form
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
著者Gonzalez-Segura, L, Hurley, T.D.
登録日2010-05-27
公開日2011-04-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published

221371

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