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4P0L
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BU of 4p0l by Molmil
Crystal Structure of Double Loop-Swapped Interleukin-36Ra With Additional Point Mutations
Descriptor: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2014-02-21
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4R6U
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BU of 4r6u by Molmil
IL-18 receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18, Interleukin-18 receptor 1
Authors:Wei, H, Wang, X.
Deposit date:2014-08-26
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the specific recognition of IL-18 by its alpha receptor.
Febs Lett., 588, 2014
4X37
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BU of 4x37 by Molmil
Gallus interleukin-1 mutant - E118K
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T, Cheng, T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Gallus interleukin-1 mutant - E118K
To Be Published
4X38
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BU of 4x38 by Molmil
Gallus interleukin-1 beta mutant - E118A
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Gallus interleukin-1 beta mutant - E118A
To Be Published
4X39
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BU of 4x39 by Molmil
Gallus interleukin-1 beta mutant - T117A
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Gallus interleukin-1 beta mutant - T117A
To Be Published
4X3A
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BU of 4x3a by Molmil
gallus interleukin-1 beta mutant - R140A
Descriptor: IL-1 beta
Authors:Yin, H.S, Cheng, W.T.
Deposit date:2014-11-28
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:gallus interleukin-1 beta mutant - R140A
To Be Published
4XFS
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BU of 4xfs by Molmil
Structure of IL-18 SER Mutant I
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-28
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFT
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BU of 4xft by Molmil
Structure of IL-18 SER Mutant III
Descriptor: DIMETHYL SULFOXIDE, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFU
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BU of 4xfu by Molmil
Structure of IL-18 SER Mutant V
Descriptor: Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
5BOW
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BU of 5bow by Molmil
CRYSTAL STRUCTURE OF IL-38
Descriptor: 1,2-ETHANEDIOL, Interleukin-1 family member 10
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2015-05-27
Release date:2016-06-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal Structure of Interleukin-38
To Be Published
5BVP
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BU of 5bvp by Molmil
The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1beta
Descriptor: CHLORIDE ION, Canakinumab Fab light-chain, Interleukin-1 beta, ...
Authors:Rondeau, J.M.
Deposit date:2015-06-05
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1 beta.
Mabs, 7, 2015
5HN1
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BU of 5hn1 by Molmil
Crystal structure of Interleukin-37
Descriptor: Interleukin-37, SULFATE ION
Authors:Ellisdon, A.M, Nold-Petry, C.A, Nold, M.F, Whisstock, J.C.
Deposit date:2016-01-17
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Homodimerization attenuates the anti-inflammatory activity of interleukin-37.
Sci Immunol, 2, 2017
5I1B
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BU of 5i1b by Molmil
A COMPARISON OF THE HIGH RESOLUTION STRUCTURES OF HUMAN AND MURINE INTERLEUKIN-1B
Descriptor: INTERLEUKIN-1 BETA
Authors:Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1992-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Comparison of the High Resolution Structures of Human and Murine Interleukin-1B
To be Published
5MVZ
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BU of 5mvz by Molmil
Fab 4AB007 bound to Interleukin-1-beta
Descriptor: Fab 4AB007 H-chain, Fab 4AB007 L-chain, GLYCEROL, ...
Authors:Stark, W, Seibert, V.
Deposit date:2017-01-17
Release date:2017-02-15
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of a novel, fully Human Fab binding to Interleukin 1-beta.
To Be Published
5R7W
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BU of 5r7w by Molmil
PanDDA analysis group deposition of ground-state model of INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5R85
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BU of 5r85 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1262246195 in complex with INTERLEUKIN-1 BETA
Descriptor: 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R86
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BU of 5r86 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z943693514 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R87
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BU of 5r87 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z44592329 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, N-phenyl-N'-pyridin-3-ylurea, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R88
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BU of 5r88 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1545313172 in complex with INTERLEUKIN-1 BETA
Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R89
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BU of 5r89 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z217038356 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8A
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BU of 5r8a by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8B
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BU of 5r8b by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2027049478 in complex with INTERLEUKIN-1 BETA
Descriptor: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8C
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BU of 5r8c by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z30857828 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8D
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BU of 5r8d by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1745658474 in complex with INTERLEUKIN-1 BETA
Descriptor: 2-(trifluoromethyl)pyrimidine-5-carboxamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8E
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BU of 5r8e by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57475877 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020

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