1EMY
 
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3K3P
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4N90
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7YHW
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-07-14 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7KIA
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | Deposit date: | 2020-10-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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7KIE
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | | Descriptor: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | Deposit date: | 2020-10-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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5XJY
 | | Cryo-EM structure of human ABCA1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette sub-family A member 1, ... | | Authors: | Qian, H.W, Yan, N, Gong, X. | | Deposit date: | 2017-05-04 | | Release date: | 2017-06-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the Human Lipid Exporter ABCA1.
Cell, 169, 2017
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3PL5
 | | Fatty acid binding protein | | Descriptor: | PALMITIC ACID, Putative uncharacterized protein | | Authors: | Lu, Y.Z. | | Deposit date: | 2010-11-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Lipid binding protein
To be Published
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7YJ3
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-07-19 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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4RI2
 | | Crystal structure of the photoprotective protein PsbS from spinach | | Descriptor: | CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | Authors: | Fan, M, Li, M, Chang, W. | | Deposit date: | 2014-10-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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4RI3
 | | Crystal structure of DCCD-modified PsbS from spinach | | Descriptor: | DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | | Authors: | Fan, M, Li, M, Chang, W. | | Deposit date: | 2014-10-05 | | Release date: | 2015-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
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8H92
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5XZ3
 | | The X-ray structure of Apis mellifera PGRP-SA | | Descriptor: | Peptidoglycan-recognition protein, SULFATE ION | | Authors: | Liu, Y.J, Huang, J.X, Zhao, X.M, An, J.D. | | Deposit date: | 2017-07-11 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of peptidoglycan recognition protein SA in Apis mellifera (Hymenoptera: Apidae).
Protein Sci., 27, 2018
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7VH8
 | | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Zhao, Y, Zhang, Q, Yang, H, Rao, Z. | | Deposit date: | 2021-09-21 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
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6EAY
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5DFP
 | | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | | Deposit date: | 2015-08-27 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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5DEY
 | | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2016-06-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
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8JOP
 | | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | | Deposit date: | 2023-06-08 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
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8JSL
 | | The structure of EBOV L-VP35-RNA complex | | Descriptor: | Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV, ... | | Authors: | Qi, P, Yi, S. | | Deposit date: | 2023-06-20 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
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8JSM
 | | The structure of EBOV L-VP35-RNA complex (conformation 1) | | Descriptor: | Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV genome., ... | | Authors: | Qi, P, Yi, S. | | Deposit date: | 2023-06-20 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
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8JSN
 | | The structure of EBOV L-VP35-RNA complex (conformation 2) | | Descriptor: | Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV genome, ... | | Authors: | Qi, P, Yi, S. | | Deposit date: | 2023-06-20 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
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8JE1
 | | An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2 | | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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8JE2
 | | Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN | | Descriptor: | Cullin-2, Elongin-B, Elongin-C, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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