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4CWF
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BU of 4cwf by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-02
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
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BU of 4cwt by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWQ
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BU of 4cwq by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CMH
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BU of 4cmh by Molmil
Crystal structure of CD38 with a novel CD38-targeting antibody SAR650984
分子名称: ADP-RIBOSYL CYCLASE 1, HEAVY CHAIN OF SAR650984-FAB FRAGMENT, LIGHT CHAIN OF SAR650984-FAB FRAGMENT
著者Deckert, J, Wetzel, M.C, Park, P.U, Bartle, L.M, Skaletskaya, A, Goldmacher, V, Vallee, F, ZhouLiu, Q, Ferrari, P, Pouzieux, S, Lahoute, C, Dumontet, C, Plesa, A, Chiron, M, Lejeune, P, Chittenden, T, Blanc, V.
登録日2014-01-15
公開日2014-07-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献SAR650984, a novel humanized CD38-targeting antibody, demonstrates potent antitumor activity in models of multiple myeloma and other CD38+ hematologic malignancies.
Clin. Cancer Res., 20, 2014
4DCX
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BU of 4dcx by Molmil
X-ray structure of NikA in complex with Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
分子名称: ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ...
著者Cherrier, M.V, Girgenti, E, Amara, P, Iannello, M, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S, Cavazza, C.
登録日2012-01-18
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of the periplasmic nickel-binding protein NikA provides insights for artificial metalloenzyme design.
J.Biol.Inorg.Chem., 17, 2012
6ME2
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BU of 6me2 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon
分子名称: DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
4TWJ
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BU of 4twj by Molmil
The structure of Sir2Af2 bound to a myristoylated histone peptide
分子名称: ACETATE ION, GLYCEROL, Histone H4 peptide, ...
著者Ringel, A.E, Roman, C, Wolberger, C.
登録日2014-06-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2.
Protein Sci., 23, 2014
9LKX
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BU of 9lkx by Molmil
local refinement of FEM1B bound with PLD6
分子名称: Mitochondrial cardiolipin hydrolase, Protein fem-1 homolog B
著者Zhao, S, Xu, C.
登録日2025-01-16
公開日2025-04-09
最終更新日2025-05-07
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献TOM20-driven E3 ligase recruitment regulates mitochondrial dynamics through PLD6.
Nat.Chem.Biol., 2025
9QPT
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BU of 9qpt by Molmil
Single particle cryo-EM structure of MdtF V610F with bound Rhodamine 6G
分子名称: DODECANE, Multidrug resistance protein MdtF, PHOSPHATIDYLETHANOLAMINE, ...
著者Lawrence, R, Adams, C, Sousa, J.S, Ahdash, Z, Reading, E.
登録日2025-03-28
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis for multidrug efflux by an anaerobic RND transporter.
Biorxiv, 2025
9QPS
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BU of 9qps by Molmil
Single particle cryo-EM structure of MdtF V610F
分子名称: DODECANE, Multidrug resistance protein MdtF, PHOSPHATIDYLETHANOLAMINE
著者Lawrence, R, Adams, C, Sousa, J.S, Ahdash, Z, Reading, E.
登録日2025-03-28
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Molecular basis for multidrug efflux by an anaerobic RND transporter.
Biorxiv, 2025
3CLZ
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BU of 3clz by Molmil
The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA
分子名称: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
9LKY
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BU of 9lky by Molmil
Dimer of CRL2-FEM1B bound with PLD6
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
著者Zhao, S, Xu, C.
登録日2025-01-17
公開日2025-04-09
最終更新日2025-05-07
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献TOM20-driven E3 ligase recruitment regulates mitochondrial dynamics through PLD6.
Nat.Chem.Biol., 2025
8R00
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BU of 8r00 by Molmil
Crystal structure of the human PXR ligand-binding domain in complex with furanodienone
分子名称: Nuclear receptor subfamily 1 group I member 2, furanodienone
著者Bourguet, W, Carivenc, C, Sirounian, S.
登録日2023-10-30
公開日2025-04-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An abundant ginger compound furanodienone alleviates gut inflammation via the xenobiotic nuclear receptor PXR in mice.
Nat Commun, 16, 2025
6Y21
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BU of 6y21 by Molmil
Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-Cystathionine
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase
著者Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A.
登録日2020-02-14
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Cystathionine Beta-synthase from Toxoplasma gondii with PLP-Cystathionine
To Be Published
6YBA
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BU of 6yba by Molmil
HAdV-F41 Capsid
分子名称: Hexon protein, Hexon-interlacing protein, Penton protein, ...
著者Perez Illana, M, Martinez, M, Mangroo, C, Brown, M, Marabini, R, San Martin, C.
登録日2020-03-16
公開日2021-03-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of enteric adenovirus HAdV-F41 highlights structural variations among human adenoviruses.
Sci Adv, 7, 2021
3CZF
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BU of 3czf by Molmil
Crystal structure of HLA-B*2709 complexed with the glucagon receptor (GR) peptide (residues 412-420)
分子名称: BETA-2-MICROGLOBULIN, GLUCAGON RECEPTOR PEPTIDE, GLYCEROL, ...
著者Loll, B, Fiorillo, M.T, Rueckert, C, Saenger, W, Sorrentino, R, Ziegler, A, Uchanska-Ziegler, B.
登録日2008-04-29
公開日2009-04-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection.
Front Immunol, 11, 2020
2IBN
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BU of 2ibn by Molmil
Crystal structure of Human myo-Inositol Oxygenase (MIOX)
分子名称: (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ...
著者Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC)
登録日2006-09-11
公開日2006-10-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
J.Biol.Chem., 283, 2008
3D73
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BU of 3d73 by Molmil
Crystal structure of a pheromone binding protein mutant D35A, from Apis mellifera, at pH 7.0
分子名称: N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-05-20
公開日2009-05-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
3CJZ
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BU of 3cjz by Molmil
Effects of N2,N2-dimethylguanosine on RNA structure and stability: crystal structure of an RNA duplex with tandem m22G:A pairs
分子名称: RNA (5'-R(*GP*GP*AP*CP*GP*(M2G)P*AP*CP*GP*UP*CP*CP*U)-3')
著者Pallan, P.S, Kreutz, C, Bosio, S, Micura, R, Egli, M.
登録日2008-03-14
公開日2008-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of N2,N2-dimethylguanosine on RNA structure and stability: crystal structure of an RNA duplex with tandem m2 2G:A pairs.
Rna, 14, 2008
9QPR
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BU of 9qpr by Molmil
Single particle cryo-EM structure of the multidrug efflux pump MdtF from Escherichia coli
分子名称: DODECANE, Multidrug resistance protein MdtF, PHOSPHATIDYLETHANOLAMINE
著者Lawrence, R, Adams, C, Sousa, J.S, Ahdash, Z, Reading, E.
登録日2025-03-28
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Molecular basis for multidrug efflux by an anaerobic RND transporter.
Biorxiv, 2025
6YJL
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BU of 6yjl by Molmil
Solution NMR structure of the C-terminal arm of RSV nucleoprotein
分子名称: Nucleoprotein
著者Cardone, C, Eleouet, J.-F, Galloux, M, Sizun, C.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the C-terminal arm of RSV nucleoprotein
To Be Published
3D78
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BU of 3d78 by Molmil
Dimeric crystal structure of a pheromone binding protein mutant D35N, from apis mellifera, at pH 7.0
分子名称: 1,2-ETHANEDIOL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-05-20
公開日2009-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
9L04
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BU of 9l04 by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK783
分子名称: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Shirouzu, M.
登録日2024-12-11
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A new BMP type 1 receptor kinase inhibitor for safe and efficient oral treatment to prevent genetically induced heterotopic ossification in mice.
Bone, 2025
6Y95
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BU of 6y95 by Molmil
Ca2+-free Calmodulin mutant N53I
分子名称: Calmodulin
著者Holt, C, Hamborg, L.N, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R.
登録日2020-03-06
公開日2020-04-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6YP5
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BU of 6yp5 by Molmil
Solution NMR structure of the oligomerization domain of respiratory syncytial virus phosphoprotein
分子名称: Phosphoprotein
著者Cardone, C, Bontems, F, Bardiaux, B, Sizun, C.
登録日2020-04-15
公開日2021-04-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Structural and Dynamic Analysis of the Partially Disordered Polymerase-Binding Domain in RSV Phosphoprotein.
Biomolecules, 11, 2021

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