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8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
Authors:Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
Deposit date:2023-06-30
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
4G67
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BU of 4g67 by Molmil
Crystal structure of a COG1565 superfamily member and likely methyl transferase from Burkholderia thailandensis bound to S-adenosyl-homocysteine
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-18
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
8SSH
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BU of 8ssh by Molmil
MtrR from Neisseria gonorrhoeae bound to Ethinyl Estradiol
Descriptor: Ethinyl estradiol, HTH-type transcriptional regulator MtrR, PHOSPHATE ION
Authors:Hooks, G.M, Brennan, R.G.
Deposit date:2023-05-08
Release date:2024-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
8SY2
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BU of 8sy2 by Molmil
Peanut USP-type BURP Domain Peptide Cyclase
Descriptor: BURP domain-containing protein
Authors:Mydy, L.S, Kersten, R.D, Smith, J.L.
Deposit date:2023-05-24
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:An intramolecular macrocyclase in plant ribosomal peptide biosynthesis.
Nat.Chem.Biol., 20, 2024
8SY3
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BU of 8sy3 by Molmil
Copper Complex of Peanut USP-type BURP Domain Peptide Cyclase
Descriptor: BURP domain-containing protein, COPPER (II) ION
Authors:Mydy, L.S, Kersten, R.D, Smith, J.L.
Deposit date:2023-05-24
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An intramolecular macrocyclase in plant ribosomal peptide biosynthesis.
Nat.Chem.Biol., 20, 2024
8T2N
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BU of 8t2n by Molmil
Crystal structure of GABARAP in complex with the LIR of NSs3
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Non-structural protein S
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-06
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
8T2M
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BU of 8t2m by Molmil
Crystal structure of GABARAP in complex with the LIR of NSs4
Descriptor: Non-structural protein S,Gamma-aminobutyric acid receptor-associated protein chimera
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-06
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
8T2L
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BU of 8t2l by Molmil
Crystal structure of LC3A in complex with the LIR of NSs4
Descriptor: Non-structural protein S,Microtubule-associated proteins 1A/1B light chain 3A chimera
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-06
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
4WPB
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BU of 4wpb by Molmil
Vascular endothelial growth factor in complex with alpha/beta-VEGF-1
Descriptor: Vascular endothelial growth factor A, alpha/beta-VEGF-1
Authors:Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T.
Deposit date:2014-10-17
Release date:2015-04-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
5XYF
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BU of 5xyf by Molmil
Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex
Descriptor: Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
Authors:Hu, C, Chen, Y.
Deposit date:2017-07-07
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex.
Cell Res., 27, 2017
7D4B
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BU of 7d4b by Molmil
Crystal structure of 4-1BB in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wang, C.
Deposit date:2020-09-23
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7ZJQ
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BU of 7zjq by Molmil
Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Descriptor: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
Authors:Musil, D, Sousa, C.M.
Deposit date:2022-04-11
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
7ZS6
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BU of 7zs6 by Molmil
Crystal structure of Apis mellifera RidA
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ...
Authors:Visentin, C, Rizzi, G, Ricagno, S.
Deposit date:2022-05-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage.
Biochem.Biophys.Res.Commun., 616, 2022
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
Descriptor: (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2015-01-12
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
8UKE
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BU of 8uke by Molmil
Crystal Structure of Norbelladine O-methyltransferase variant in complex with SAH
Descriptor: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kim, W, Zhang, Y.J.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Nat Commun, 15, 2024
7BNQ
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BU of 7bnq by Molmil
Lateral-closed conformation of the lid-locked BAM complex (BamA E435C S665C, BamBDCE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Haysom, S.F.
Deposit date:2021-01-22
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
6BEK
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BU of 6bek by Molmil
Structure of sIHF bound to an 8bp palindromic DNA
Descriptor: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), POTASSIUM ION, SCO1480
Authors:Guarne, A, Nanji, T.N, Shen, Y.
Deposit date:2017-10-25
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Streptomyces IHF uses multiple interfaces to bind DNA.
Biochim Biophys Acta Gen Subj, 1863, 2019
6BAW
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BU of 6baw by Molmil
Structure of GRP94 with a selective resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2017-10-16
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
1B87
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BU of 1b87 by Molmil
CRYSTAL STRUCTURE OF AN AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE
Descriptor: ACETYL COENZYME *A, PROTEIN (AMINOGLYCOSIDE N6'-ACETYLTRANSFERASE TYPE 1)
Authors:Wybenga-Groot, L.E, Berghuis, A.M.
Deposit date:1999-02-09
Release date:1999-06-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of an aminoglycoside 6'-N-acetyltransferase: defining the GCN5-related N-acetyltransferase superfamily fold.
Structure Fold.Des., 7, 1999
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2018-01-25
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.895 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
7FDW
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BU of 7fdw by Molmil
Crystal structure of pepsin cleaved lactoferrin C-lobe at 2.28 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Singh, P.K, Singh, J, Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2021-07-18
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.277 Å)
Cite:A Peptide Bond from the Inter-lobe Segment in the Bilobal Lactoferrin Acts as a Preferred Site for Cleavage for Serine Proteases to Generate the Perfect C-lobe: Structure of the Pepsin Hydrolyzed Lactoferrin C-lobe at 2.28 angstrom Resolution.
Protein J., 40, 2021
1AFS
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BU of 1afs by Molmil
RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE
Descriptor: 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE
Authors:Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M.
Deposit date:1997-03-13
Release date:1997-10-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase.
Structure, 5, 1997
1OSG
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BU of 1osg by Molmil
Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold
Descriptor: BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B
Authors:Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A.
Deposit date:2003-03-19
Release date:2003-05-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site
Biochemistry, 42, 2003
6CEO
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BU of 6ceo by Molmil
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2018-02-12
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
8UM2
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BU of 8um2 by Molmil
Carboxy terminus of Oleate Hydratase in phosphate buffer
Descriptor: Myosin-cross-reactive antigen
Authors:Grace, C.R, Radka, C.
Deposit date:2023-10-17
Release date:2024-01-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024

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