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7TLD
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BU of 7tld by Molmil
Down-state locked, S2 stabilized rS2d-HexaPro SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 2
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TLB
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BU of 7tlb by Molmil
Down-state locked rS2d SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 2
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP7
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BU of 7tp7 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D11 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7THE
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BU of 7the by Molmil
Structure of RBD directed antibody DH1042 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 Fab Heavy Chain, DH1042 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-01-10
Release date:2022-02-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOW
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BU of 7tow by Molmil
Antibody DH1058 Fab fragment bound to SARS-CoV-2 fusion peptide
Descriptor: CALCIUM ION, DH1058 Fab Light chain, DH1058 Fab heavy chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TGE
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BU of 7tge by Molmil
SARS-CoV-2 Omicron 1-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
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:Stalls, V, Acharya, P.
Deposit date:2022-01-07
Release date:2022-03-09
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
2OF4
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BU of 2of4 by Molmil
crystal structure of furanopyrimidine 1 bound to lck
Descriptor: 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
Authors:Martin, M.W.
Deposit date:2007-01-02
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 17, 2007
2OF2
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BU of 2of2 by Molmil
crystal structure of furanopyrimidine 8 bound to lck
Descriptor: 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
Authors:Martin, M.W.
Deposit date:2007-01-02
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 17, 2007
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Descriptor: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
Authors:Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
Deposit date:2021-10-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
5GMJ
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BU of 5gmj by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule B
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
5GMI
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BU of 5gmi by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule C
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
5GML
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BU of 5gml by Molmil
Crystal Structure of GRASP Domain of GRASP55 with N terminal extra residues
Descriptor: Golgi reassembly-stacking protein 2
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Structural relationship of the tandem PDZ tandem from Grasp55 and its implication in the unconventional secretion pathway
to be published
5GY3
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BU of 5gy3 by Molmil
The crystal structure of endoglucanase Cel10, a family 8 glycosyl hydrolase from Klebsiella pneumoniae
Descriptor: Glucanase
Authors:Attigani, A, Li, S.P, Sun, L.F.
Deposit date:2016-09-21
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The crystal structure of the endoglucanase Cel10, a family 8 glycosyl hydrolase from Klebsiella pneumoniae
Acta Crystallogr F Struct Biol Commun, 72, 2016
5ZFL
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BU of 5zfl by Molmil
Crystal structure of beta-lactamase PenP mutant E166Y
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-06
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
Descriptor: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
Authors:Wei, H, Zhou, A.
Deposit date:2016-03-08
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
5YPO
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BU of 5ypo by Molmil
Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide
Descriptor: Disks large homolog 4, GLYCEROL, SAPAP
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
8IAB
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BU of 8iab by Molmil
The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
Authors:Yang, Z, Zhang, X, Zhang, P.
Deposit date:2023-02-08
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8IAD
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BU of 8iad by Molmil
The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
Authors:Yang, Z, Zhang, X, Zhang, P.
Deposit date:2023-02-08
Release date:2023-08-02
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
8I6Y
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BU of 8i6y by Molmil
Crystal structure of Arabidopsis thaliana LOX1
Descriptor: FE (III) ION, Linoleate 9S-lipoxygenase 1
Authors:Liu, X, Liu, L.
Deposit date:2023-01-30
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:UV-B light signal mediates stomatal closure by activating the 9-lipoxygenase pathway
To Be Published

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PDB entries from 2024-10-30

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