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4NL5
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BU of 4nl5 by Molmil
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
Descriptor: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ...
Authors:Morse, R.P, Chao, A, Goulding, C.W.
Deposit date:2013-11-13
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
4NM4
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BU of 4nm4 by Molmil
Crystal structure of broadly neutralizing antibody CR8043
Descriptor: Antibody CR8043, Heavy Chain, Light Chain, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-11-14
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 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
Descriptor: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NUJ
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BU of 4nuj by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT152
Descriptor: PGT152 heavy chain, PGT152 light chain
Authors:Blattner, C, Wilson, I.A.
Deposit date:2013-12-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.827 Å)
Cite: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
Descriptor: 13PL heavy chain, 13PL light chain, ACETATE ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-12-12
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
4NW7
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BU of 4nw7 by Molmil
PDE4 catalytic domain
Descriptor: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-12-05
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Bioorg.Med.Chem.Lett., 24, 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
Descriptor: CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4ODH
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BU of 4odh by Molmil
Crystal structure of human Fab CAP256-VRC26.UCA, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.UCA heavy chain, CAP256-VRC26.UCA light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-10
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 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
Descriptor: CAP256-VRC26.10 heavy chain, CAP256-VRC26.10 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4OD3
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BU of 4od3 by Molmil
Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAP256-VRC26.07 heavy chain, CAP256-VRC26.07 light chain, ...
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4LPL
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BU of 4lpl by Molmil
Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ...
Authors:Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
4M5Z
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BU of 4m5z by Molmil
Crystal structure of broadly neutralizing antibody 5J8 bound to 2009 pandemic influenza hemagglutinin, HA1 subunit
Descriptor: Fab 5J8 heavy chain, Fab 5J8 light chain, Hemagglutinin HA1 chain
Authors:Hong, M, Lee, P.S, Wilson, I.A.
Deposit date:2013-08-08
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
4ORG
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BU of 4org by Molmil
Crystal structure of human Fab CAP256-VRC26.04, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.04 heavy chain, CAP256-VRC26.04 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-02-11
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 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
Descriptor: CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4MWF
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BU of 4mwf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C
Descriptor: 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 E2, ...
Authors:Kong, L, Wilson, I.A, Law, M.
Deposit date:2013-09-24
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Hepatitis C virus e2 envelope glycoprotein core structure.
Science, 342, 2013
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
Descriptor: CAP256-VRC26.01 heavy chain, CAP256-VRC26.01 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4P59
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BU of 4p59 by Molmil
HER3 extracellular domain in complex with Fab fragment of MOR09825
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOR09825 Fab fragment heavy chain, ...
Authors:Sprague, E.R.
Deposit date:2014-03-15
Release date:2014-04-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin.
Cancer Res., 73, 2013
4NZR
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BU of 4nzr by Molmil
Crystal structure of the antibody-binding region of Protein M (Protein M TD) in complex with anti-HIV antibody PGT135 Fab
Descriptor: GLYCEROL, PGT135 heavy chain, PGT135 light chain, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-12-12
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
Descriptor: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 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
Descriptor: 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol, Macrophage migration inhibitory factor-like protein
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-03-27
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014
4LQR
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BU of 4lqr by Molmil
Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein
Authors:Grondin, J.M, Furness, H.S, Duan, D, Spencer, C.A, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
4M5Y
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BU of 4m5y by Molmil
Crystal structure of broadly neutralizing Fab 5J8
Descriptor: DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-08-08
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
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
Descriptor: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-03-27
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
Descriptor: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014

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