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1B10
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BU of 1b10 by Molmil
SOLUTION NMR STRUCTURE OF RECOMBINANT SYRIAN HAMSTER PRION PROTEIN RPRP(90-231) , 25 STRUCTURES
Descriptor: PROTEIN (PRION PROTEIN)
Authors:James, T.L, Liu, H, Ulyanov, N.B, Farr-Jones, S.
Deposit date:1998-11-25
Release date:1998-12-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of a 142-residue recombinant prion protein corresponding to the infectious fragment of the scrapie isoform.
Proc.Natl.Acad.Sci.USA, 94, 1997
2BVQ
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BU of 2bvq by Molmil
Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression
Descriptor: BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y.
Deposit date:2005-07-01
Release date:2005-09-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
2BVP
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BU of 2bvp by Molmil
Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression
Descriptor: BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y.
Deposit date:2005-07-01
Release date:2005-09-07
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
2BVO
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BU of 2bvo by Molmil
Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression
Descriptor: BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y.
Deposit date:2005-07-01
Release date:2005-09-13
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
2W9D
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BU of 2w9d by Molmil
Structure of Fab fragment of the ICSM 18 - anti-Prp therapeutic antibody at 1.57 A resolution.
Descriptor: CALCIUM ION, ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN
Authors:Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J.
Deposit date:2009-01-23
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody.
Proc.Natl.Acad.Sci.USA, 106, 2009
2W9E
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BU of 2w9e by Molmil
Structure of ICSM 18 (anti-Prp therapeutic antibody) Fab fragment complexed with human Prp fragment 119-231
Descriptor: ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, MAJOR PRION PROTEIN, ...
Authors:Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J.
Deposit date:2009-01-23
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody.
Proc.Natl.Acad.Sci.USA, 106, 2009
1OMN
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BU of 1omn by Molmil
SOLUTION STRUCTURE OF OMEGA-CONOTOXIN MVIIC, A HIGH AFFINITY OF P-TYPE CALCIUM CHANNELS, USING 1H NMR SPECTROSCOPY AND COMPLETE RELAXATION MATRIX ANALYSIS
Descriptor: OMEGA-CONOTOXIN M VII C (M SEVEN C)
Authors:Farr-Jones, S, Basus, V.J.
Deposit date:1994-12-20
Release date:1995-12-01
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of omega-conotoxin MVIIC, a high affinity ligand of P-type calcium channels, using 1H NMR spectroscopy and complete relaxation matrix analysis.
J.Mol.Biol., 248, 1995
2V0X
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BU of 2v0x by Molmil
The dimerization domain of LAP2alpha
Descriptor: LAMINA-ASSOCIATED POLYPEPTIDE 2 ISOFORMS ALPHA/ZETA
Authors:Bradley, C.M, Jones, S, Huang, Y, Suzuki, Y, Kvaratskhelia, M, Hickman, A.B, Craigie, R, Dyda, F.
Deposit date:2007-05-20
Release date:2007-06-26
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Dimerization of Lap2Alpha, a Component of the Nuclear Lamina.
Structure, 15, 2007
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
Descriptor: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
Descriptor: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
6K6N
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BU of 6k6n by Molmil
Crystal structure of SIVmac239 Nef protein
Descriptor: Protein Nef
Authors:Hirao, K, Andrews, S, Kuroki, K, Kusaka, H, Tadokoro, T, Kita, S, Ose, T, Rowland-Jones, S, Maenaka, K.
Deposit date:2019-06-04
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.0002 Å)
Cite:Structure of HIV-2 Nef Reveals Features Distinct from HIV-1 Involved in Immune Regulation.
Iscience, 23, 2020
6K6M
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BU of 6k6m by Molmil
Crystal structure of HIV-2 Nef protein
Descriptor: Protein Nef
Authors:Hirao, K, Andrews, S, Kuroki, K, Kusaka, H, Tadokoro, T, Kita, S, Ose, T, Rowland-Jones, S, Maenaka, K.
Deposit date:2019-06-04
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:Structure of HIV-2 Nef Reveals Features Distinct from HIV-1 Involved in Immune Regulation.
Iscience, 23, 2020
5VB9
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BU of 5vb9 by Molmil
IL-17A in complex with peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ...
Authors:Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M.
Deposit date:2017-03-28
Release date:2018-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
8QFS
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BU of 8qfs by Molmil
Cryo-EM structure of SidH from Legionella pneumophila
Descriptor: Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, R, Weis, F, Bhogaraju, S.
Deposit date:2023-09-04
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
8QHC
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BU of 8qhc by Molmil
Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX
Descriptor: E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, R, Adams, M, Bhogaraju, S.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
8B2R
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BU of 8b2r by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikF with a rice (Oryza sativa) RGA5 HMA domain mutant.
Descriptor: 1,2-ETHANEDIOL, AVR-Pik protein, CHLORIDE ION, ...
Authors:Bentham, A.R, Banfield, M.J.
Deposit date:2022-09-14
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Allelic compatibility in plant immune receptors facilitates engineering of new effector recognition specificities.
Plant Cell, 35, 2023
6HMK
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BU of 6hmk by Molmil
POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690
Descriptor: 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Barkauskaite, E.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6HML
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BU of 6hml by Molmil
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299
Descriptor: 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Barkauskaite, E.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6HMM
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BU of 6hmm by Molmil
POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6HMN
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BU of 6hmn by Molmil
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909
Descriptor: 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
8SH5
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BU of 8sh5 by Molmil
Crystal structure of 3'cap-independent translation enhancers (CITE) from Pea enation mosaic virus RNA 2 (PEMV2) with Fab BL3-6K170A
Descriptor: Fab BL3-6K170A heavy chain, Fab BL3-6K170A light chain, RNA (88-MER)
Authors:Lewicka, A, Roman, C, Rice, P.A, Piccirilli, J.A.
Deposit date:2023-04-13
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of a cap-independent translation enhancer RNA.
Nucleic Acids Res., 51, 2023
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
Descriptor: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
Descriptor: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-27
Release date:2021-01-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
6I83
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BU of 6i83 by Molmil
Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366
Descriptor: 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
Deposit date:2018-11-19
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020

 

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