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7UCX
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BU of 7ucx by Molmil
LRP8 11H1 Fab complexed to a cyclized CR1 peptide
Descriptor: 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ...
Authors:Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A.
Deposit date:2022-03-17
Release date:2023-01-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
Descriptor: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
Descriptor: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-20
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
1EK1
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BU of 1ek1 by Molmil
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CIU INHIBITOR
Descriptor: EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA
Authors:Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W.
Deposit date:2000-03-06
Release date:2000-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation.
J.Biol.Chem., 275, 2000
1EK2
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BU of 1ek2 by Molmil
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR
Descriptor: EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-DECYLUREA
Authors:Argiriadi, M.A, Morisseau, C, Goodrow, M.H, Dowdy, D.L, Hammock, B.D, Christianson, D.W.
Deposit date:2000-03-06
Release date:2000-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation.
J.Biol.Chem., 275, 2000
2AVT
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BU of 2avt by Molmil
Crystal structure of the beta subunit from DNA polymerase of Streptococcus pyogenes
Descriptor: DNA polymerase III beta subunit
Authors:Argiriadi, M.A, Goedken, E.R, Bruck, I, O'donnell, M, Kuriyan, J.
Deposit date:2005-08-30
Release date:2006-01-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a DNA polymerase sliding clamp from a Gram-positive bacterium.
Bmc Struct.Biol., 6, 2006
1CQZ
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BU of 1cqz by Molmil
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE.
Descriptor: EPOXIDE HYDROLASE
Authors:Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
Deposit date:1999-08-12
Release date:1999-11-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase.
Proc.Natl.Acad.Sci.USA, 96, 1999
5EUE
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BU of 5eue by Molmil
S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide
Descriptor: PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
5EUD
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BU of 5eud by Molmil
S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide
Descriptor: PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
4E1Z
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BU of 4e1z by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
Descriptor: N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2012-03-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
4E20
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BU of 4e20 by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
Descriptor: N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2012-03-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
2VXV
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BU of 2vxv by Molmil
Crystal structure of human IgG ABT-325 Fab Fragment
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, HUMAN IGG ABT-325
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
2VXU
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BU of 2vxu by Molmil
Crystal structure of murine reference antibody 125-2H Fab fragment
Descriptor: MURINE IGG 125-2H
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
2VXT
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BU of 2vxt by Molmil
Crystal structure of human IL-18 complexed to murine reference antibody 125-2H Fab
Descriptor: CHLORIDE ION, INTERLEUKIN-18, MAGNESIUM ION, ...
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
1CR6
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BU of 1cr6 by Molmil
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR
Descriptor: EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA
Authors:Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
Deposit date:1999-08-13
Release date:1999-11-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase.
Proc.Natl.Acad.Sci.USA, 96, 1999
6PE7
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BU of 6pe7 by Molmil
Crystal Structure of ABBV-323 FAB
Descriptor: FAB Heavy Chain, FAB Light chain, SULFATE ION
Authors:Argiriadi, M.A.
Deposit date:2019-06-20
Release date:2019-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
6PE9
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BU of 6pe9 by Molmil
Crystal Structure of CD40 complexed to FAB516
Descriptor: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
Authors:Argiriadi, M.A.
Deposit date:2019-06-20
Release date:2019-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
6PE8
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BU of 6pe8 by Molmil
Crystal structure of CD40/ABBV-323 FAB complex
Descriptor: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
Authors:Argiriadi, M.A.
Deposit date:2019-06-20
Release date:2019-08-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
Descriptor: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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BU of 8dyf by Molmil
IL17A homodimer bound to Compound 10
Descriptor: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYG
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BU of 8dyg by Molmil
IL17A homodimer bound to Compound 7
Descriptor: (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
Descriptor: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
Authors:Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
Deposit date:2019-06-10
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019

 

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