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7YJG
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Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJH
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BU of 7yjh by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
6LEH
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BU of 6leh by Molmil
Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
7URS
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BU of 7urs by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
著者Chen, Y, Tolbert, W.D, Pazgier, M.
登録日2022-04-03
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UL0
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Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
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 EH8, ...
著者Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
登録日2022-04-03
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UI2
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The crystal structure of 15kDa Phlebotomus papatasi salivary protein Ppsp15.
分子名称: ACETATE ION, SP15 protein
著者Tolbert, W.D, Pazgier, M.
登録日2022-03-28
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The crystal structure of 15kDa Phlebotomus papatasi salivary protein Ppsp15.
To Be Published
7URU
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BU of 7uru by Molmil
Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ...
著者Tolbert, W.D, Pazgier, M.
登録日2022-04-22
公開日2023-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1.
To Be Published
7UOJ
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BU of 7uoj by Molmil
The CryoEM structure of N49-P9.6-FR3 and PGT121 Fabs in complex with BG505 SOSIP.664
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, Envelope glycoprotein gp120, ...
著者Nguyen, D.N, Tolbert, W.D, Pazgier, M.
登録日2022-04-13
公開日2023-05-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献The structure of N49-P9.6-FR3 and PGT121 Fabs in complex with BG505 SOSIP
To Be Published
3G46
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Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-03
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3G4Q
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BU of 3g4q by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3G4U
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BU of 3g4u by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and dichloropropane bound to the XE4 cavity
分子名称: 1,3-dichloropropane, CARBON MONOXIDE, GLOBIN-1, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3G4V
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BU of 3g4v by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloropentane bound to the XE4 cavity
分子名称: 1-chloropentane, CARBON MONOXIDE, GLOBIN-1, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3G4R
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BU of 3g4r by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to HEME and dichloroethane bound to the XE4 cavity
分子名称: 1,2-DICHLOROETHANE, CARBON MONOXIDE, Globin-1, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-04
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3GUN
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BU of 3gun by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--aniline binding
分子名称: ANILINE, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
3GUO
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BU of 3guo by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--phenol binding
分子名称: CALCIUM ION, CHLORIDE ION, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
3GUM
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BU of 3gum by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--p-xylene binding
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
3GUI
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BU of 3gui by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Apo structure
分子名称: BETA-MERCAPTOETHANOL, CARBONATE ION, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
3GUK
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BU of 3guk by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Toluene binding
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
5JPA
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BU of 5jpa by Molmil
Hexameric HIV-1 CA H12Y mutant
分子名称: Capsid Protein P24
著者Jacques, D.A, James, L.C.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5KUT
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BU of 5kut by Molmil
hMiro2 C-terminal GTPase domain, GDP-bound
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 2
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-13
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KSY
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BU of 5ksy by Molmil
hMiro1 C-domain GDP Complex P41212 Crystal Form
分子名称: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-10
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.482 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KSZ
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BU of 5ksz by Molmil
hMiro EF hand and cGTPase domains in the GMPPCP-bound state
分子名称: CHLORIDE ION, MAGNESIUM ION, Mitochondrial Rho GTPase 1, ...
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-10
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KTY
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BU of 5kty by Molmil
hMiro EF hand and cGTPase domains, GDP and Ca2+ bound state
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-12
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016

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