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1FLR
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BU of 1flr by Molmil
4-4-20 FAB FRAGMENT
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4-4-20 (IG*G2A=KAPPA=) FAB FRAGMENT
著者Whitlow, M.
登録日1995-01-19
公開日1995-09-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 A structure of anti-fluorescein 4-4-20 Fab.
Protein Eng., 8, 1995
5ELV
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BU of 5elv by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution
分子名称: 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S.
登録日2015-11-05
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Biophys.J., 110, 2016
1FFQ
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BU of 1ffq by Molmil
CRYSTAL STRUCTURE OF CHITINASE A COMPLEXED WITH ALLOSAMIDIN
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE A
著者Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K.
登録日2000-07-26
公開日2003-02-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin.
Acta Crystallogr.,Sect.D, 59, 2003
7U5G
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BU of 7u5g by Molmil
ACS122 Fab
分子名称: ACS122 Fab Heavy chain, ACS122 Fab Light chain
著者Farokhi, E, Stanfield, R.L, Wilson, I.A.
登録日2022-03-02
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Complementary antibody lineages achieve neutralization breadth in an HIV-1 infected elite neutralizer.
Plos Pathog., 18, 2022
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
分子名称: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NUG
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BU of 4nug by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT151
分子名称: HEXAETHYLENE GLYCOL, PGT151 heavy chain, PGT151 light chain
著者Blattner, C, Wilson, I.A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8617 Å)
主引用文献Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers.
Immunity, 40, 2014
7TJP
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BU of 7tjp by Molmil
HIV-1 gp120 complex with CJF-II-195
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023
7TJO
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BU of 7tjo by Molmil
HIV-1 gp120 complex with CJF-II-197-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
4NGE
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BU of 4nge by Molmil
Crystal Structure of Human Presequence Protease in Complex with Amyloid-beta (1-40)
分子名称: ACETATE ION, Beta-amyloid protein 40, GLYCEROL, ...
著者King, J.V, Liang, W.G, Tang, W.J.
登録日2013-11-01
公開日2014-05-14
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Molecular basis of substrate recognition and degradation by human presequence protease.
Structure, 22, 2014
4NM8
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BU of 4nm8 by Molmil
Crystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin
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, Antibody CR8043, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-11-14
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.0041 Å)
主引用文献A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
分子名称: Microtubule-associated protein tau
著者Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
登録日2013-11-20
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
7TRT
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BU of 7trt by Molmil
The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid
分子名称: 4-(furan-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-01-30
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
7TRU
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BU of 7tru by Molmil
The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid
分子名称: 4-(thiophen-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-01-31
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
4NZT
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BU of 4nzt by Molmil
Crystal structure of the antibody-binding region of Protein M (Protein M TD) in complex with anti-infleunza hemagglutinin antibody CR9114 Fab
分子名称: CR9114 heavy chain, CR9114 light chain, Protein M TD
著者Zhu, X, Wilson, I.A.
登録日2013-12-12
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
4NM4
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BU of 4nm4 by Molmil
Crystal structure of broadly neutralizing antibody CR8043
分子名称: Antibody CR8043, Heavy Chain, Light Chain, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-11-14
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NUJ
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BU of 4nuj by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT152
分子名称: PGT152 heavy chain, PGT152 light chain
著者Blattner, C, Wilson, I.A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers.
Immunity, 40, 2014
4NZU
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BU of 4nzu by Molmil
Crystal structure of the primary monoclonal antibody 13PL Fab' from a multiple myeloma patient
分子名称: 13PL heavy chain, 13PL light chain, ACETATE ION, ...
著者Zhu, X, Wilson, I.A.
登録日2013-12-12
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
4NW5
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BU of 4nw5 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
分子名称: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NUS
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BU of 4nus by Molmil
Rsk2 N-terminal kinase in complex with LJH685
分子名称: 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-04
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
4OCS
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BU of 4ocs by Molmil
Crystal structure of human Fab CAP256-VRC26.10, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: CAP256-VRC26.10 heavy chain, CAP256-VRC26.10 light chain
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-01-09
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4OCW
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BU of 4ocw by Molmil
Crystal structure of human Fab CAP256-VRC26.06, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-01-09
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4OD1
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BU of 4od1 by Molmil
Crystal structure of human Fab CAP256-VRC26.03, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-01-09
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4OCR
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BU of 4ocr by Molmil
Crystal structure of human Fab CAP256-VRC26.01, a potent V1V2-directed HIV-1 neutralizing antibody
分子名称: CAP256-VRC26.01 heavy chain, CAP256-VRC26.01 light chain
著者Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
登録日2014-01-09
公開日2014-02-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4P7M
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BU of 4p7m by Molmil
Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
分子名称: 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol, Macrophage migration inhibitory factor-like protein
著者Pantouris, G, Lolis, E.
登録日2014-03-27
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014
4P7S
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BU of 4p7s by Molmil
Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
分子名称: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein
著者Pantouris, G, Lolis, E.
登録日2014-03-27
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014

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