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6Z9D
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BU of 6z9d by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-06-03
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6PNX
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BU of 6pnx by Molmil
Crystal Structure of an Asymmetric Dimer of FGF Receptor 3 Kinases Trapped in A-loop Tyrosine Transphosphorylation Reaction
Descriptor: Fibroblast growth factor receptor 3, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Mohammadi, M.
Deposit date:2019-07-03
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Molecular basis for receptor tyrosine kinase A-loop tyrosine transphosphorylation.
Nat.Chem.Biol., 16, 2020
4L72
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BU of 4l72 by Molmil
Crystal structure of MERS-CoV complexed with human DPP4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Wang, X.Q, Wang, N.S.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
8UVL
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BU of 8uvl by Molmil
Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site
Descriptor: 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A.
Deposit date:2023-11-03
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
4KMA
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BU of 4kma by Molmil
Crystal structure of Drosophila Suppressor of Fused
Descriptor: GM14141p
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
7YSX
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BU of 7ysx by Molmil
Crystal structure of PDE4D complexed with licoisoflavone A
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-13
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YQF
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BU of 7yqf by Molmil
Crystal structure of PDE4D complexed with glycyrrhisoflavone
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-06
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7YSU
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BU of 7ysu by Molmil
Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
Authors:Mohammadi, M, Chen, L.
Deposit date:2022-08-13
Release date:2023-04-19
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for FGF hormone signalling.
Nature, 618, 2023
7YSH
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BU of 7ysh by Molmil
Cryo-EM Structure of FGF23-FGFR1c-aKlotho-HS Quaternary Complex
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, COPPER (II) ION, Fibroblast growth factor 23, ...
Authors:Mohammadi, M, Chen, L.
Deposit date:2022-08-12
Release date:2023-04-19
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural basis for FGF hormone signalling.
Nature, 618, 2023
7YSW
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BU of 7ysw by Molmil
Cryo-EM Structure of FGF23-FGFR4-aKlotho-HS Quaternary Complex
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
Authors:Mohammadi, M, Chen, L.
Deposit date:2022-08-13
Release date:2023-06-14
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural basis for FGF hormone signalling.
Nature, 618, 2023
4KMD
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BU of 4kmd by Molmil
Crystal structure of Sufud60-Gli1p
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ...
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KM9
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BU of 4km9 by Molmil
Crystal structure of human Suppressor of Fused
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KM8
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BU of 4km8 by Molmil
Crystal structure of Sufud60
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
7D1O
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BU of 7d1o by Molmil
Crystal structure of SARS-Cov-2 main protease with narlaprevir
Descriptor: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Fu, L.F, Feng, Y, Qi, J.X.
Deposit date:2020-09-15
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis for the inhibition of the SARS-CoV-2 main protease by the anti-HCV drug narlaprevir.
Signal Transduct Target Ther, 6, 2021
7E6Q
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BU of 7e6q by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
8IK2
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BU of 8ik2 by Molmil
RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis
Descriptor: (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase
Authors:Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T.
Deposit date:2023-02-28
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human 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 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBP
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BU of 7wbp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human 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 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBL
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BU of 7wbl by Molmil
Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
8IBX
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BU of 8ibx by Molmil
Structure of R2 with 3'UTR and DNA in unwinding state
Descriptor: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ...
Authors:Deng, P, Tan, S, Wang, J, Liu, J.J.
Deposit date:2023-02-10
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023

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