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8EAB
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BU of 8eab by Molmil
NKG2D complexed with inhibitor 4f
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2023-05-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EA6
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BU of 8ea6 by Molmil
NKG2D complexed with inhibitor 3e
Descriptor: N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAA
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BU of 8eaa by Molmil
NKG2D complexed with inhibitor 4e
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ...
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7BN2
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BU of 7bn2 by Molmil
Clathrin heavy chain N-terminal domain bound to Non structured protein 3 from Eastern Equine Encephalitis Virus
Descriptor: Clathrin heavy chain 1, Non structured protein 3 from Eastern Equine Encephalitis Virus, PHOSPHATE ION, ...
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
6QIO
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BU of 6qio by Molmil
Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, CYSTEINE, ...
Authors:Johansson, E.
Deposit date:2019-01-21
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
7UWG
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BU of 7uwg by Molmil
The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir)
Descriptor: HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION
Authors:Manik, M.K, Nanson, J.D, Ve, T, Kobe, B.
Deposit date:2022-05-03
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXR
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BU of 7uxr by Molmil
Crystal structure of the BtTir TIR domain
Descriptor: TIR domain protein
Authors:Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7BN3
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BU of 7bn3 by Molmil
Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E
Descriptor: GLYCEROL, Isoform 2 of Polyadenylate-binding protein 1, Nucleoprotein from Human Coronavirus 229E, ...
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
6HQ2
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BU of 6hq2 by Molmil
Structure of EAL Enzyme Bd1971 - apo form
Descriptor: EAL Enzyme Bd1971
Authors:Lovering, A.L, Cadby, I.T.
Deposit date:2018-09-24
Release date:2019-07-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
7UXS
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BU of 7uxs by Molmil
Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, BcThsA, GLYCEROL, ...
Authors:Shi, Y, Masic, V, Mosaiab, T, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7BN1
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BU of 7bn1 by Molmil
Clathrin heavy chain N-terminal domain complexed with peptide from Protein mu-NS of Reovirus type 1
Descriptor: Clathrin heavy chain 1, Protein mu-NS from Reovirus type 1, TETRAETHYLENE GLYCOL
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
8CHE
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BU of 8che by Molmil
TLT-1 binding Fab of the bispecific antibody HMB-001 in complex with the TLT-1 stalk peptide
Descriptor: Fab heavy chain, Fab light chain, Trem-like transcript 1 protein
Authors:Johansson, E, Schluckebier, G.
Deposit date:2023-02-07
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders
Nat Cardiovasc Res, 3, 2024
8CN9
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BU of 8cn9 by Molmil
Factor VII binding Fab of the bispecific antibody HMB-001 in complex with Factor VII
Descriptor: CALCIUM ION, CESIUM ION, Coagulation factor VII, ...
Authors:Schluckebier, G, Johansson, E.
Deposit date:2023-02-22
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A bispecific antibody approach for the potential prophylactic treatment of inherited bleeding disorders
Nat Cardiovasc Res, 2023
6F8H
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BU of 6f8h by Molmil
antitoxin GraA
Descriptor: XRE family transcriptional regulator
Authors:Talavera, A, Loris, R.
Deposit date:2017-12-13
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT.
Nat Commun, 10, 2019
7UXT
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BU of 7uxt by Molmil
Crystal structure of ligand-free SeThsA
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, USG protein
Authors:Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
8CP7
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BU of 8cp7 by Molmil
Structure of the disulfide-locked substrate binding protein HiSiaP.
Descriptor: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP, ZINC ION
Authors:Kim, Y, Peter, M.F, Hagelueken, G.
Deposit date:2023-03-02
Release date:2023-12-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational coupling of the sialic acid TRAP transporter HiSiaQM with its substrate binding protein HiSiaP.
Nat Commun, 15, 2024
6HAZ
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BU of 6haz by Molmil
Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand
Descriptor: 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION
Authors:Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A.
Deposit date:2018-08-09
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
8EC9
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BU of 8ec9 by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36 with p-iodo-phenylalanine
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET-VAL
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECA
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BU of 8eca by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ORN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
8U41
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BU of 8u41 by Molmil
OvsA from Halomonas utahensis, an ovoselenol-biosynthetic selenoxide synthase in complex with histidine
Descriptor: FE (III) ION, FORMIC ACID, HISTIDINE, ...
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2023-09-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution
Nat.Chem., 2024
8U42
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BU of 8u42 by Molmil
OvsA from Halomonas utahensis, a selenoxide synthase involved in ovoselenol biosynthesis
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, FORMIC ACID, ...
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2023-09-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution
Nat.Chem., 2024
8UX5
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BU of 8ux5 by Molmil
OvsA M401Y/Q430N/A431F from Halomonas utahensis, a hercynine-binding variant with selenoneine-biosynthetic activity
Descriptor: FE (III) ION, SODIUM ION, Selenoxide synthase OvsA
Authors:Ireland, K.A, Davis, K.M.
Deposit date:2023-11-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution
Nat.Chem., 2024
8DQT
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BU of 8dqt by Molmil
Human PDK1 kinase domain in complex with Valsartan
Descriptor: (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL
Authors:Gross, L.Z.F, Klinke, S, Biondi, R.M.
Deposit date:2022-07-19
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein.
Sci.Signal., 16, 2023
8U5L
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BU of 8u5l by Molmil
MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1
Descriptor: Capsid protein VP1, scFv fragment of the monoclonal antibody MAU868
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-09-12
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nonclinical and clinical characterization of MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK polyomavirus VP1.
Am J Transplant, 2024
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
Descriptor: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
Authors:Ding, Y.H, Kohls, D, Low, C.
Deposit date:2005-03-04
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005

224004

PDB entries from 2024-08-21

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