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8DM1
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BU of 8dm1 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM6
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BU of 8dm6 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DMA
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BU of 8dma by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
3JD0
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BU of 3jd0 by Molmil
Glutamate dehydrogenase in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3JD4
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BU of 3jd4 by Molmil
Glutamate dehydrogenase in complex with NADH and GTP, closed conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3JD1
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BU of 3jd1 by Molmil
Glutamate dehydrogenase in complex with NADH, closed conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3JCZ
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BU of 3jcz by Molmil
Structure of bovine glutamate dehydrogenase in the unliganded state
Descriptor: Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-27
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3JD3
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BU of 3jd3 by Molmil
Glutamate dehydrogenase in complex with NADH and GTP, open conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3J7H
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BU of 3j7h by Molmil
Structure of beta-galactosidase at 3.2-A resolution obtained by cryo-electron microscopy
Descriptor: Beta-galactosidase, MAGNESIUM ION
Authors:Bartesaghi, A, Matthies, D, Banerjee, S, Merk, A, Subramaniam, S.
Deposit date:2014-06-30
Release date:2014-07-30
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of beta-galactosidase at 3.2- angstrom resolution obtained by cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 111, 2014
3JD2
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BU of 3jd2 by Molmil
Glutamate dehydrogenase in complex with NADH, open conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3JCF
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BU of 3jcf by Molmil
Cryo-EM structure of the magnesium channel CorA in the closed symmetric magnesium-bound state
Descriptor: MAGNESIUM ION, Magnesium transport protein CorA
Authors:Matthies, D, Perozo, E, Subramaniam, S.
Deposit date:2015-12-11
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM Structures of the Magnesium Channel CorA Reveal Symmetry Break upon Gating.
Cell(Cambridge,Mass.), 164, 2016
3JCH
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BU of 3jch by Molmil
Cryo-EM structure of the magnesium channel CorA in the magnesium-free, asymmetric open state II
Descriptor: Magnesium transport protein CorA
Authors:Matthies, D, Perozo, E, Subramaniam, S.
Deposit date:2015-12-11
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.06 Å)
Cite:Cryo-EM Structures of the Magnesium Channel CorA Reveal Symmetry Break upon Gating.
Cell(Cambridge,Mass.), 164, 2016
3JCG
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BU of 3jcg by Molmil
Cryo-EM structure of the magnesium channel CorA in the magnesium-free, asymmetric open state I
Descriptor: Magnesium transport protein CorA
Authors:Matthies, D, Perozo, E, Subramaniam, S.
Deposit date:2015-12-11
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.06 Å)
Cite:Cryo-EM Structures of the Magnesium Channel CorA Reveal Symmetry Break upon Gating.
Cell(Cambridge,Mass.), 164, 2016
6B44
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BU of 6b44 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound target dsDNA
Descriptor: CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6B45
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BU of 6b45 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex
Descriptor: CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6B47
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BU of 6b47 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF2
Descriptor: Anti-CRISPR protein AcrF2, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6B48
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BU of 6b48 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF10
Descriptor: Anti-CRISPR protein AcrF10, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6B46
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BU of 6b46 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1
Descriptor: Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ...
Authors:Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
Authors:Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-04-07
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
4KHT
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BU of 4kht by Molmil
Triple helix bundle of GP41 complexed with fab 8066
Descriptor: 8066 heavy chain, 8066 light chain, Gp41 helix
Authors:Li, M, Gustchina, A, Wlodawer, A.
Deposit date:2013-05-01
Release date:2014-03-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.817 Å)
Cite:Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
4KHX
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BU of 4khx by Molmil
Crystal structure of gp41 helix complexed with antibody 8062
Descriptor: 8062 heavy chain, 8062 light chain, gp41 helix
Authors:Li, M, Gustchina, A, Wlodawer, A.
Deposit date:2013-05-01
Release date:2014-03-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.921 Å)
Cite:Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
4TY7
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BU of 4ty7 by Molmil
Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-2-ethylhexanamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2014-07-08
Release date:2014-12-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
4TY6
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BU of 4ty6 by Molmil
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
Descriptor: 1,2-ETHANEDIOL, 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide, CYS-THR-THR-LYS-ILE-LYS-PRO, ...
Authors:Wei, A.
Deposit date:2014-07-07
Release date:2014-12-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014

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