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8D47
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BU of 8d47 by Molmil
fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Abernathy, M.E, Barnes, C.O.
Deposit date:2022-06-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
2DSQ
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BU of 2dsq by Molmil
Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins
Descriptor: Insulin-like growth factor IB, Insulin-like growth factor-binding protein 1, Insulin-like growth factor-binding protein 4
Authors:Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A.
Deposit date:2006-07-05
Release date:2006-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8B0R
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BU of 8b0r by Molmil
Structure of the CalpL/cA4 complex
Descriptor: Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ...
Authors:Schneberger, N, Hagelueken, G.
Deposit date:2022-09-08
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
1CP4
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BU of 1cp4 by Molmil
FORMATION, CRYSTAL STRUCTURE, AND REARRANGEMENT OF A CYTOCHROME P450-CAM IRON-PHENYL COMPLEX
Descriptor: BENZENE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Formation, crystal structure, and rearrangement of a cytochrome P-450cam iron-phenyl complex.
Biochemistry, 29, 1990
6ZD9
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BU of 6zd9 by Molmil
Crystal structure of YTHDC1 apo purified using GST tag
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Caflisch, A.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
8AMG
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BU of 8amg by Molmil
Crystal structure of AUGUGGCAU duplex with barium ions (model 1)
Descriptor: BARIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3')
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
8AMM
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BU of 8amm by Molmil
Crystal structure of AUGUGGCAU duplex with cesium ions
Descriptor: CESIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3')
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
8AMJ
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BU of 8amj by Molmil
Crystal structure of unliganded AUGUGGCAU duplex
Descriptor: ACETATE ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), SULFATE ION
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
7LB8
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BU of 7lb8 by Molmil
Structure of a ferrichrome importer FhuCDB from E. coli
Descriptor: Iron(3+)-hydroxamate import ATP-binding protein FhuC, Iron(3+)-hydroxamate import system permease protein FhuB, Iron(3+)-hydroxamate-binding protein FhuD
Authors:Hu, W, Zheng, H.
Deposit date:2021-01-07
Release date:2021-11-24
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM reveals unique structural features of the FhuCDB Escherichia coli ferrichrome importer.
Commun Biol, 4, 2021
8AMI
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BU of 8ami by Molmil
Crystal structure of AUGUGGCAU duplex with barium ions (model 2)
Descriptor: BARIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), SODIUM ION
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
8AML
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BU of 8aml by Molmil
Crystal structure of AUGUGGCAU duplex with cadmium ions
Descriptor: CADMIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3')
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
8AMK
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BU of 8amk by Molmil
Crystal structure of AUGUGGCAU duplex crystallized in the presence of calcium ions
Descriptor: RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3')
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
8AMN
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BU of 8amn by Molmil
Crystal structure of AUGUGGCAU duplex with strontium ions
Descriptor: RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), STRONTIUM ION
Authors:Kiliszek, A, Rypniewski, W.
Deposit date:2022-08-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
7LO9
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BU of 7lo9 by Molmil
RNA dodecamer containing a GNA A residue
Descriptor: Chains: A,B,C,D
Authors:Harp, J.M, Wawrzak, Z, Egli, M.
Deposit date:2021-02-09
Release date:2021-12-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
6ZD7
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BU of 6zd7 by Molmil
Crystal structure of YTHDC1 T379V mutant complex with m6A
Descriptor: N-methyladenosine, SULFATE ION, YTH domain containing 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2020-06-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
Descriptor: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
7LUJ
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
Descriptor: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
7LVZ
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BU of 7lvz by Molmil
Crystal structure of ADO
Descriptor: 2-aminoethanethiol dioxygenase, CHLORIDE ION, FE (II) ION, ...
Authors:Bingman, C.A, Fernandez, R.L, Smith, R.W, Fox, B.G, Brunold, T.C.
Deposit date:2021-02-26
Release date:2022-01-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Crystal Structure of Cysteamine Dioxygenase Reveals the Origin of the Large Substrate Scope of This Vital Mammalian Enzyme.
Biochemistry, 60, 2021
7LCU
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BU of 7lcu by Molmil
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor
Descriptor: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Campobasso, N, Reid, R.
Deposit date:2021-01-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
Descriptor: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
8DB3
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BU of 8db3 by Molmil
Crystal structure of KaiC with truncated C-terminal coiled-coil domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2022-06-14
Release date:2023-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
6Z00
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BU of 6z00 by Molmil
Arabidopsis thaliana Naa50 in complex with bisubstrate analogue CoA-Ac-MVNAL
Descriptor: Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA-LEU
Authors:Weidenhausen, J, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2020-05-07
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and functional characterization of the N-terminal acetyltransferase Naa50.
Structure, 29, 2021
7QHP
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BU of 7qhp by Molmil
Structure of I-Ag7 with a bound hybrid insulin peptide
Descriptor: GLYCEROL, H-2 class II histocompatibility antigen, A-D alpha chain, ...
Authors:Lopez-Sagaseta, J, Erausquin, E.
Deposit date:2021-12-13
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
7QQR
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BU of 7qqr by Molmil
SpCas9 bound to AAVS1 off-target5 DNA substrate
Descriptor: 1,2-ETHANEDIOL, AAVS1 off-target5 non-target strand, AAVS1 off-target5 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022

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PDB entries from 2024-10-16

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