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8ZER
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BU of 8zer by Molmil
Crystal structure of the complex of Wuhan SARS-CoV-2 RBD (319-541) with P2C5 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P2C5, Spike protein S1, ...
Authors:Sluchanko, N.N, Varfolomeeva, L.A, Shcheblyakov, D.V, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M.
Deposit date:2024-05-06
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Evasion of New SARS-CoV-2 Variants from the Potent Virus-Neutralizing Nanobody Targeting the S-Protein Receptor-Binding Domain.
Biochemistry Mosc., 89, 2024
4UF1
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BU of 4uf1 by Molmil
Deerpox virus DPV022 in complex with Bak BH3
Descriptor: Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION
Authors:Burton, D.R, Kvansakul, M.
Deposit date:2014-12-23
Release date:2015-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4USX
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BU of 4usx by Molmil
The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei
Descriptor: MAGNESIUM ION, TRIMERIC AUTOTRANSPORTER ADHESIN
Authors:Perletti, L, Gourlay, L.J, Peano, C, Pietrelli, A, DeBellis, G, Deantonio, C, Santoro, C, Sblattero, D, Bolognesi, M.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selecting Soluble/Foldable Protein Domains Through Single-Gene or Genomic Orf Filtering: Structure of the Head Domain of Burkholderia Pseudomallei Antigen Bpsl2063.
Acta Crystallogr.,Sect.D, 71, 2015
4W90
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BU of 4w90 by Molmil
Crystal structure of Bacillus subtilis cyclic-di-AMP riboswitch ydaO
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ...
Authors:Jones, C.P, Ferre-D'Amare, A.R.
Deposit date:2014-08-26
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.118 Å)
Cite:Crystal structure of a c-di-AMP riboswitch reveals an internally pseudo-dimeric RNA.
Embo J., 33, 2014
9B38
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BU of 9b38 by Molmil
Kainate receptor GluK2 in complex with agonist glutamate with pseudo 4-fold symmetrical ligand-binding domain layer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
9B39
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BU of 9b39 by Molmil
Kainate receptor GluK2 in complex with agonist glutamate with asymmetric ligand-binding domain layer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
4UF3
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BU of 4uf3 by Molmil
Deerpox virus DPV022 in complex with Bim BH3
Descriptor: Antiapoptotic membrane protein, Bcl-2-like protein 11
Authors:Burton, D.R, Kvansakul, M.
Deposit date:2014-12-23
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
4W5W
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BU of 4w5w by Molmil
Rubisco activase from Arabidopsis thaliana
Descriptor: Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION
Authors:Hasse, D, Larsson, A.M, Andersson, I.
Deposit date:2014-08-19
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Arabidopsis thaliana Rubisco activase
Acta Crystallogr.,Sect.D, 71, 2015
9AXF
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BU of 9axf by Molmil
Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq) protein in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-06
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
9BDW
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BU of 9bdw by Molmil
NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9AYF
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BU of 9ayf by Molmil
Structure of human calcium-sensing receptor in complex with Gi1 (miniGi1) protein in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-07
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
4UF2
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BU of 4uf2 by Molmil
Deerpox virus DPV022 in complex with Bax BH3
Descriptor: Antiapoptotic membrane protein, Apoptosis regulator BAX
Authors:Burton, D.R, Kvansakul, M.
Deposit date:2014-12-23
Release date:2015-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
9EVM
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BU of 9evm by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-03-30
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
9FA6
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BU of 9fa6 by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FAD
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BU of 9fad by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FB2
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BU of 9fb2 by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-11
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FDI
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BU of 9fdi by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-17
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9F9Z
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BU of 9f9z by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-09
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FA3
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BU of 9fa3 by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
8YG8
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BU of 8yg8 by Molmil
The early intermediate structure of baculovirus fusion protein GP64
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Major envelope glycoprotein
Authors:Du, D, Guo, J, Li, S.
Deposit date:2024-02-26
Release date:2024-09-11
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural transition of GP64 triggered by a pH-sensitive multi-histidine switch.
Nat Commun, 15, 2024
9FAL
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BU of 9fal by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FAY
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BU of 9fay by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
9FAZ
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BU of 9faz by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-10
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
8ZES
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BU of 8zes by Molmil
Crystal structure of the Wuhan SARS-CoV-2 RBD (333-541) complexed with P2C5 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P2C5, ...
Authors:Sluchanko, N.N, Varfolomeeva, L.A, Shcheblyakov, D.V, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M.
Deposit date:2024-05-06
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural Basis for Evasion of New SARS-CoV-2 Variants from the Potent Virus-Neutralizing Nanobody Targeting the S-Protein Receptor-Binding Domain.
Biochemistry Mosc., 89, 2024

225399

數據於2024-09-25公開中

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