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7TEU
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BU of 7teu by Molmil
Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1
Descriptor: 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Hubbard, S.R.
Deposit date:2022-01-05
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
5WPW
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BU of 5wpw by Molmil
Crystal structure of coconut allergen cocosin
Descriptor: 11S globulin isoform 1
Authors:Jin, T, Zhang, Y.
Deposit date:2016-11-21
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Crystal Structure of Cocosin, A Potential Food Allergen from Coconut (Cocos nucifera)
J. Agric. Food Chem., 65, 2017
6LOM
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BU of 6lom by Molmil
Structure of CLHM1 from Caenorhabditis Elegans
Descriptor: Calcium homeostasis modulator protein
Authors:Yang, W.X, Wang, Y.W, Zhang, X.C.
Deposit date:2020-01-06
Release date:2020-07-29
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Cryo-electron microscopy structure of CLHM1 ion channel from Caenorhabditis elegans.
Protein Sci., 29, 2020
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
7X7T
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BU of 7x7t by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7U
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BU of 7x7u by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7V
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BU of 7x7v by Molmil
Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
Authors:Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
8JP3
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BU of 8jp3 by Molmil
FCP trimer in diatom Thalassiosira pseudonana
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ...
Authors:Feng, Y, Li, Z, Zhou, C.C, Liu, C, Shen, J.R, Wang, W.
Deposit date:2023-06-10
Release date:2024-06-12
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
Descriptor: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2012-08-05
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5IQ8
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BU of 5iq8 by Molmil
Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-03-10
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of TEM1 beta-lactamase
To Be Published
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-06-21
Release date:2017-06-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
7EBZ
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BU of 7ebz by Molmil
EV-D68 in complex with 2H12 Fab (state S1)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-11
Release date:2021-03-31
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EC5
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BU of 7ec5 by Molmil
EV-D68 in complex with 8F12 Fab
Descriptor: 8F12 Fab heavy chain, 8F12 Fab light chain, Capsid protein VP1, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-11
Release date:2021-03-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
Descriptor: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
Deposit date:2021-08-26
Release date:2022-04-06
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ECY
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BU of 7ecy by Molmil
EV-D68 in complex with 2H12 Fab (State 3)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-13
Release date:2021-03-31
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EBR
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BU of 7ebr by Molmil
EV-D68 in complex with 2H12 Fab (state S2)
Descriptor: 2H12 Fab heavy chain, 2H12 Fab light chain, Capsid protein VP1, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-10
Release date:2021-03-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7N32
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BU of 7n32 by Molmil
protofilaments of microtubule doublets bound to outer-arm dynein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rao, Q, Zhang, K.
Deposit date:2021-05-31
Release date:2021-09-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7MWG
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BU of 7mwg by Molmil
16-nm repeat microtubule doublet
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rao, Q, Zhang, K.
Deposit date:2021-05-17
Release date:2021-09-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
Descriptor: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
Authors:Zhang, Z, Shuo, D, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021

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PDB entries from 2024-10-16

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