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8TCG
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Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-18
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Ethinyl estradiol, HTH-type transcriptional regulator MtrR, PHOSPHATE ION
著者Hooks, G.M, Brennan, R.G.
登録日2023-05-08
公開日2024-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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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Peanut USP-type BURP Domain Peptide Cyclase
分子名称: BURP domain-containing protein
著者Mydy, L.S, Kersten, R.D, Smith, J.L.
登録日2023-05-24
公開日2024-02-14
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献An intramolecular macrocyclase in plant ribosomal peptide biosynthesis.
Nat.Chem.Biol., 20, 2024
8SY3
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Copper Complex of Peanut USP-type BURP Domain Peptide Cyclase
分子名称: BURP domain-containing protein, COPPER (II) ION
著者Mydy, L.S, Kersten, R.D, Smith, J.L.
登録日2023-05-24
公開日2024-02-14
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: Gamma-aminobutyric acid receptor-associated protein, Non-structural protein S
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
分子名称: Non-structural protein S,Gamma-aminobutyric acid receptor-associated protein chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献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
分子名称: Non-structural protein S,Microtubule-associated proteins 1A/1B light chain 3A chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
分子名称: Vascular endothelial growth factor A, alpha/beta-VEGF-1
著者Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T.
登録日2014-10-17
公開日2015-04-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献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
分子名称: Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
著者Hu, C, Chen, Y.
登録日2017-07-07
公開日2017-12-13
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献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
分子名称: 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, ...
著者Wang, C.
登録日2020-09-23
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献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
分子名称: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
著者Musil, D, Sousa, C.M.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ...
著者Visentin, C, Rizzi, G, Ricagno, S.
登録日2022-05-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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
分子名称: (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, ...
著者Whittington, D.A, Long, A.M.
登録日2015-01-12
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Kim, W, Zhang, Y.J.
登録日2023-10-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Haysom, S.F.
登録日2021-01-22
公開日2021-06-02
最終更新日2021-07-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献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
分子名称: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), POTASSIUM ION, SCO1480
著者Guarne, A, Nanji, T.N, Shen, Y.
登録日2017-10-25
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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.
分子名称: 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献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
分子名称: ACETYL COENZYME *A, PROTEIN (AMINOGLYCOSIDE N6'-ACETYLTRANSFERASE TYPE 1)
著者Wybenga-Groot, L.E, Berghuis, A.M.
登録日1999-02-09
公開日1999-06-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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.
分子名称: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, P.K, Singh, J, Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-07-18
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.277 Å)
主引用文献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
分子名称: 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE
著者Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M.
登録日1997-03-13
公開日1997-10-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B
著者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.
登録日2003-03-19
公開日2003-05-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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.
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-02-12
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献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
分子名称: Myosin-cross-reactive antigen
著者Grace, C.R, Radka, C.
登録日2023-10-17
公開日2024-01-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024

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