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7O00
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BU of 7o00 by Molmil
Crystal structure of HLA-DR4 in complex with a HSP70 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaperone protein DnaK, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2021-03-25
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZH
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BU of 7nzh by Molmil
Crystal structure of HLA-DR4 in complex with a citrullinated cilp peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.831 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZF
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BU of 7nzf by Molmil
Crystal structure of HLA-DR4 in complex with a mutated human collagen type II peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Ge, C, Dobritzsch, D, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
7NZE
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BU of 7nze by Molmil
Crystal structure of HLA-DR4 in complex with a human collagen type II peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(II) chain, GLYCEROL, ...
Authors:Ge, C, Dobritzsch, D, Holmdahl, R.
Deposit date:2021-03-24
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor.
Ann Rheum Dis, 81, 2022
8F76
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BU of 8f76 by Molmil
Human olfactory receptor OR51E2 bound to propionate in complex with miniGs399
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Billesboelle, C.B, Manglik, A.
Deposit date:2022-11-18
Release date:2023-03-22
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of odorant recognition by a human odorant receptor.
Nature, 615, 2023
5MUB
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BU of 5mub by Molmil
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (CG05)
Descriptor: ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, triple-helical peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,triple-helical peptide containing the citrullinated C1 epitope of collagen type II
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-13
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
4QTH
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BU of 4qth by Molmil
Crystal structure of anti-uPAR Fab 8B12
Descriptor: anti-uPAR antibody, heavy chain, light chain
Authors:Zhao, B, Yuan, C, Luo, Z, Huang, M.
Deposit date:2014-07-08
Release date:2015-02-25
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
5MU0
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BU of 5mu0 by Molmil
ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03)
Descriptor: IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-11
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
5MV3
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BU of 5mv3 by Molmil
ACC1 Fab fragment in complex with CII583-591 (CG10)
Descriptor: heavy chain of ACC1 Fab fragment, light chain of ACC1 Fab fragment, synthetic peptide containing the CII583-591 epitope of collagen type II,Collagen alpha-1(II) chain,synthetic peptide containing the CII583-591 epitope of collagen type II,
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-15
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
Descriptor: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
Authors:Zhao, B, Yuan, C, Luo, Z, Huang, M.
Deposit date:2014-07-08
Release date:2015-02-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
5MV4
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BU of 5mv4 by Molmil
ACC1 Fab fragment in complex with citrullinated CII616-639 epitope of collagen type II (ptm23)
Descriptor: ACC1 antibody Fab fragment, heavy chain, light chain, ...
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-15
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
5MU2
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BU of 5mu2 by Molmil
ACC1 Fab fragment in complex with CII583-591 (CG10)
Descriptor: ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, synthetic peptide containing the CII583-591 epitope of collagen type II
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-12
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
7K3R
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BU of 7k3r by Molmil
Cryo-EM structure of AIM2-PYD filament
Descriptor: Interferon-inducible protein AIM2
Authors:Zheng, W, Matyszewski, M, Sohn, J, Egelman, E.H.
Deposit date:2020-09-12
Release date:2021-05-26
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct axial and lateral interactions within homologous filaments dictate the signaling specificity and order of the AIM2-ASC inflammasome.
Nat Commun, 12, 2021
5YC8
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BU of 5yc8 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS (Hg-derivative)
Descriptor: MERCURY (II) ION, Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2017-09-06
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZK8
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BU of 5zk8 by Molmil
Crystal structure of M2 muscarinic acetylcholine receptor bound with NMS
Descriptor: Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZKB
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BU of 5zkb by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with AF-DX 384
Descriptor: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZKC
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BU of 5zkc by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS
Descriptor: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZK3
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BU of 5zk3 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
6H8R
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BU of 6h8r by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
Descriptor: 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Hoerer, S, Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
6AN1
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BU of 6an1 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand AM-879
Descriptor: 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Veras, H, Figueira, A.C, le Maire, A.
Deposit date:2017-08-11
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties.
Front Endocrinol (Lausanne), 9, 2018
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Descriptor: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
Authors:Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
2MG8
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BU of 2mg8 by Molmil
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
Descriptor: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3'
Authors:Lin, C.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.
Nucleic Acids Res., 42, 2014
5T04
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BU of 5t04 by Molmil
STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ...
Authors:Krumm, B, Botos, I, Grisshammer, R.
Deposit date:2016-08-15
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and dynamics of a constitutively active neurotensin receptor.
Sci Rep, 6, 2016
2Y5T
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BU of 2y5t by Molmil
Crystal structure of the pathogenic autoantibody CIIC1 in complex with the triple-helical C1 peptide
Descriptor: C1, CHLORIDE ION, CIIC1 FAB FRAGMENT HEAVY CHAIN, ...
Authors:Dobritzsch, D, Lindh, I, Schneider, N, Uysal, H, Nandakumar, K.S, Burkhardt, H, Schneider, G, Holmdahl, R.
Deposit date:2011-01-17
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of an Arthritogenic Anticollagen Immune Complex.
Arthritis Rheum., 63, 2011
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