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8RZB
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BU of 8rzb by Molmil
IL-1beta in complex with covalent DEL hit
Descriptor: 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-12
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RYS
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BU of 8rys by Molmil
Human IL-1beta, unliganded
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-03-06
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8RYK
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BU of 8ryk by Molmil
IL-1beta in complex with macrocyclic peptide hit
Descriptor: Interleukin-1 beta, Macrocyclic peptide
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
8URV
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BU of 8urv by Molmil
Solution NMR structure of pro-IL-18
Descriptor: Interleukin-18
Authors:Bonin, J.P, Aramini, J.M, Kay, L.E.
Deposit date:2023-10-26
Release date:2024-05-29
Last modified:2024-07-24
Method:SOLUTION NMR
Cite:Structural transitions enable interleukin-18 maturation and signaling.
Immunity, 57, 2024
8Q3J
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BU of 8q3j by Molmil
Crystal structure of mIL-38 in complex with a neutralizing Fab e04 fragment
Descriptor: Fab e04 Heavy Chain (e04 HC), Fab e04 Light Chain (e04 LC), Interleukin-1 family member 10, ...
Authors:Garcia-Pardo, J, Da Silva, P, Mora, J, Wiechmann, S, Putyrski, M, You, X, Kannt, A, Ernst, A, Brune, B, Weigert, A.
Deposit date:2023-08-04
Release date:2024-08-14
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Neutralizing IL-38 activates gamma delta T cell-dependent antitumor immunity and sensitizes for chemotherapy.
J Immunother Cancer, 12, 2024
8SV1
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BU of 8sv1 by Molmil
Caspase-1 complex with interleukin-18
Descriptor: Caspase-1, Interleukin-18
Authors:Dong, Y, Pascal, D, Jon, K, Wu, H.
Deposit date:2023-05-15
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Caspase-1 complex with interleukin-18
To Be Published
8SPB
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BU of 8spb by Molmil
Caspase-4/Pro-IL-18 complex
Descriptor: Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18
Authors:Pascal, D, Dong, Y, Wu, H, Jon, K.
Deposit date:2023-05-02
Release date:2023-11-22
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
8J6K
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BU of 8j6k by Molmil
Crystal structure of pro-interleukin-18 and caspase-4 complex
Descriptor: Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ...
Authors:Sun, Q, Hou, Y.J, Ding, J.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome.
Nature, 624, 2023
8C3U
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BU of 8c3u by Molmil
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
Descriptor: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta
Authors:Rondeau, J.-M, Lehmann, S, Koch, E.
Deposit date:2022-12-28
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
7Z4T
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BU of 7z4t by Molmil
AAL160 FAB IN COMPLEX WITH HUMAN INTERLEUKIN-1 BETA
Descriptor: AAL160 Fab heavy-chain, AAL160 light-chain, Interleukin-1 beta
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2022-03-04
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:"Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
7AL7
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BU of 7al7 by Molmil
The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein
Authors:Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N.
Deposit date:2020-10-05
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity.
J.Biol.Chem., 298, 2022
7CHY
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BU of 7chy by Molmil
Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26
Descriptor: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26, light chain of antibody binding fragment of IgG26
Authors:Lee, C.C, Wang, A.H.J, Kuo, W.C.
Deposit date:2020-07-06
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP.
J.Mol.Biol., 433, 2020
7CHZ
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BU of 7chz by Molmil
Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26A
Descriptor: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26A, light chain of antibody binding fragment of IgG26A
Authors:Lee, C.C, Wang, A.H.J, Kuo, W.C.
Deposit date:2020-07-06
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP.
J.Mol.Biol., 433, 2020
6Y8M
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BU of 6y8m by Molmil
Fragment bikinin bound to Interleukin 1 beta
Descriptor: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-05
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment bikinin bound to Interleukin 1 beta
To Be Published
6Y8I
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BU of 6y8i by Molmil
Fragment KCL_I013 in complex with IL-1-beta
Descriptor: 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Fragment KCL_I013 in complex with IL-1-beta
To Be Published
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
5R8L
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BU of 5r8l by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, 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 (1.56 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
5R8I
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BU of 5r8i by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z210803634 in complex with INTERLEUKIN-1 BETA
Descriptor: (1~{R})-1-(4-ethoxyphenyl)ethanamine, 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
5R8K
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BU of 5r8k by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA
Descriptor: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, 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
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
5R8H
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BU of 5r8h by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, 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 (1.5 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
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
5R8O
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BU of 5r8o by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1881545321 in complex with INTERLEUKIN-1 BETA
Descriptor: 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-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 (1.42 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
5R8M
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BU of 5r8m by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 in complex with INTERLEUKIN-1 BETA
Descriptor: 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-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 (1.39 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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PDB entries from 2024-09-18

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