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6E8L
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BU of 6e8l by Molmil
Crystal Structure of Alkyl hydroperoxidase D (AhpD) from Streptococcus pneumoniae (Strain D39/ NCTC 7466)
Descriptor: Alkyl hydroperoxide reductase AhpD
Authors:Meng, Y, Davies, J, North, R, Coombes, D, Horne, C, Hampton, M, Dobson, R.
Deposit date:2018-07-30
Release date:2019-08-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-function analyses of alkylhydroperoxidase D fromStreptococcus pneumoniaereveal an unusual three-cysteine active site architecture.
J.Biol.Chem., 295, 2020
7MON
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BU of 7mon by Molmil
Structure of human RIPK3-MLKL complex
Descriptor: Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
Deposit date:2021-05-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
8SLZ
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BU of 8slz by Molmil
Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain
Descriptor: Mixed lineage kinase domain-like protein
Authors:Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
Deposit date:2023-04-25
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phosphorylation-dependent pseudokinase domain dimerization drives full-length MLKL oligomerization.
Nat Commun, 14, 2023
7JW7
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BU of 7jw7 by Molmil
Structure of monobody 27 human MLKL pseudokinase domain complex
Descriptor: Mixed lineage kinase domain-like protein, Monobody 27
Authors:Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M.
Deposit date:2020-08-25
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis.
Nat Commun, 12, 2021
7JXU
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BU of 7jxu by Molmil
Structure of monobody 32 human MLKL pseudokinase domain complex
Descriptor: 1,2-ETHANEDIOL, Mixed lineage kinase domain-like protein, Monobody 32
Authors:Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M.
Deposit date:2020-08-28
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis.
Nat Commun, 12, 2021
6OXM
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BU of 6oxm by Molmil
Crystal structure of L,L-diaminopimelate aminotransferase (DapL) from Verrucomicrobium spinosum
Descriptor: Diaminopimelate aminotransferase
Authors:Weatherhead, A, Meng, Y, Dobson, R, Hudson, A.
Deposit date:2019-05-13
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of Diaminopimelate Aminotransferase from Verrucomicrobium Spinosum
To Be Published
4PKM
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BU of 4pkm by Molmil
Crystal Structure of Bacillus thuringiensis Cry51Aa1 Protoxin at 1.65 Angstroms Resolution
Descriptor: Cry51Aa1, GLYCEROL, GLYCINE, ...
Authors:Xu, C, Chinte, U, Chen, L, Yao, Q, Zhou, D, Meng, Y, Li, L, Rose, J, Bi, L.J, Yu, Z, Sun, M, Wang, B.C.
Deposit date:2014-05-15
Release date:2015-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Cry51Aa1: A potential novel insecticidal aerolysin-type beta-pore-forming toxin from Bacillus thuringiensis.
Biochem.Biophys.Res.Commun., 462, 2015
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, L, Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7XB1
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BU of 7xb1 by Molmil
Crystal structure of Omicron BA.3 RBD complexed with hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Li, W, Meng, Y, Liao, H.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7MX3
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BU of 7mx3 by Molmil
Crystal structure of human RIPK3 complexed with GSK'843
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2021-05-18
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
8H3D
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BU of 8h3d by Molmil
Structure of apo SARS-CoV-2 spike protein with one RBD up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
Deposit date:2022-10-08
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
8H3E
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BU of 8h3e by Molmil
Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin
Authors:Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
Deposit date:2022-10-08
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
3WLW
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BU of 3wlw by Molmil
Molecular Architecture of the ErbB2 Extracellular Domain Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ...
Authors:Hu, S, Lou, Z.Y, Guo, Y.J.
Deposit date:2013-11-15
Release date:2015-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.088 Å)
Cite:Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
8HFY
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BU of 8hfy by Molmil
SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFX
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BU of 8hfx by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HG0
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BU of 8hg0 by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFZ
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BU of 8hfz by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
7ALK
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BU of 7alk by Molmil
Structure of Drosophila C2-DSL-EGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurogenic locus protein delta, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
7ALJ
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BU of 7alj by Molmil
Structure of Drosophila Notch EGF domains 11-13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
7ALT
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BU of 7alt by Molmil
Structure of Drosophila Serrate C2-DSL-EGF1-EGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H.
Deposit date:2020-12-29
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021

 

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數據於2024-10-16公開中

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