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8H0Y
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BU of 8h0y by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H12
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BU of 8h12 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation
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:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.44681 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H15
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BU of 8h15 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14182 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0X
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BU of 8h0x by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
8JRE
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BU of 8jre by Molmil
Cryo-EM structure of a designed AAV8-based vector
Descriptor: Capsid protein
Authors:Ke, X, Luo, S, Zheng, Q, Jiang, H, Liu, F, Sun, X.
Deposit date:2023-06-16
Release date:2024-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.08 Å)
Cite:An adeno-associated virus variant enabling efficient ocular-directed gene delivery across species.
Nat Commun, 15, 2024
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
Descriptor: Major capsid protein, Penton protein (VP14), VP137, ...
Authors:Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
Deposit date:2022-11-20
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
6MK0
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BU of 6mk0 by Molmil
Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161
Descriptor: (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:van Agthoven, J, Arnaout, M.A.
Deposit date:2018-09-24
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
6W3H
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BU of 6w3h by Molmil
Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1
Authors:Srivastava, A, Kariolis, M, Wells, R.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
Authors:Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
Deposit date:2020-03-21
Release date:2020-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Sun, L, Yang, H.
Deposit date:2022-11-03
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
Descriptor: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-07
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7NBZ
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BU of 7nbz by Molmil
Crystal structure of ligand free open conformation of sulfoquinovosyl binding protein (SQBP) from Agrobacterium tumefaciens
Descriptor: ACETATE ION, Sulfoquinovosyl binding protein
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2021-01-28
Release date:2022-01-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
7N3S
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BU of 7n3s by Molmil
Human bisphosphoglycerate mutase complex with 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
7N3R
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BU of 7n3r by Molmil
The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
6WJ0
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BU of 6wj0 by Molmil
Crystal structure of Fab 54-4H03
Descriptor: Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WJ1
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BU of 6wj1 by Molmil
Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
Descriptor: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
6WIY
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BU of 6wiy by Molmil
Crystal structure of Fab 54-1G05
Descriptor: Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020

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