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3ICV
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BU of 3icv by Molmil
Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B
Authors:Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X.
Deposit date:2009-07-18
Release date:2009-10-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
3ICW
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BU of 3icw by Molmil
Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, PHOSPHATE ION, ...
Authors:Horton, J.R, Qian, Z, Jia, D, Lutz, S.A, Cheng, X.
Deposit date:2009-07-18
Release date:2009-10-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
5VST
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BU of 5vst by Molmil
Crystal structure of murine CEACAM1b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Biliary glycoprotein
Authors:Peng, G, Yang, Y, Pasquarella, J.R, Xu, L, Qian, Z, Holmes, K.V, Li, F.
Deposit date:2017-05-12
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular mechanism for coronavirus-driven evolution of mouse receptor
J. Biol. Chem., 292, 2017
5KWB
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BU of 5kwb by Molmil
Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 1.9 angstrom, molecular replacement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Spike glycoprotein, ...
Authors:Guan, H, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
7V9U
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BU of 7v9u by Molmil
Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom
Descriptor: DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2021-08-26
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
5GNB
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BU of 5gnb by Molmil
Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Guan, H, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2016-07-20
Release date:2017-06-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
3R4D
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BU of 3r4d by Molmil
Crystal structure of mouse coronavirus receptor-binding domain complexed with its murine receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CEA-related cell adhesion molecule 1, ...
Authors:Peng, G.Q, Sun, D.W, Rajashankar, K.R, Qian, Z.H, Holmes, K.V, Li, F.
Deposit date:2011-03-17
Release date:2011-06-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of mouse coronavirus receptor-binding domain complexed with its murine receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
6AKW
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BU of 6akw by Molmil
Crystal structure of RNA dioxygenase bound with an inhibitor
Descriptor: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2018-09-04
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
8GVL
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BU of 8gvl by Molmil
PTPN21 FERM
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GWH
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BU of 8gwh by Molmil
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide
Descriptor: SRC pTyr530 peptide, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-17
Release date:2023-09-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GVV
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BU of 8gvv by Molmil
PTPN21 PTP domain C1108S mutant
Descriptor: IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GXE
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BU of 8gxe by Molmil
PTPN21 FERM PTP complex
Descriptor: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-19
Release date:2023-09-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
7X6O
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BU of 7x6o by Molmil
Cryo-EM structure of H1 hemagglutinin from A/Washington/05/2011 in complex with a neutralizing antibody 28-12
Descriptor: Heavy chain of antibody 12 fab, Hemagglutinin, The light chain of antibody 12 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-03-07
Release date:2022-03-23
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Unique binding pattern for a lineage of human antibodies with broad reactivity against influenza A virus.
Nat Commun, 13, 2022
7X6L
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BU of 7x6l by Molmil
Cryo-EM structure of H3 hemagglutinin from A/HongKong/01/1968 in complex with a neutralizing antibody 28-12
Descriptor: Heavy chain of antibody 12 fab, Hemagglutinin, The light chain of the antibody 12 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2022-03-07
Release date:2022-03-23
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Unique binding pattern for a lineage of human antibodies with broad reactivity against influenza A virus.
Nat Commun, 13, 2022
3UGC
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BU of 3ugc by Molmil
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
Descriptor: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2
Authors:Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M.
Deposit date:2011-11-02
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Cancer Discov, 2, 2012
7X9Q
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BU of 7x9q by Molmil
Crystal structure of human STING complexed with compound BSP16
Descriptor: (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein
Authors:Pan, L, Guan, X, Feng, X, Li, Z, Bian, J.
Deposit date:2022-03-15
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents.
J.Med.Chem., 65, 2022
7DBG
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BU of 7dbg by Molmil
Yeast CRM1e (apo) in complex with Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-10-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
Descriptor: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2022-04-17
Release date:2022-09-14
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-16
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6M60
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BU of 6m60 by Molmil
Plumbagin in complex with CRM1#-Ran-RanBP1
Descriptor: (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-12
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021

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