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5X3E
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BU of 5x3e by Molmil
kinesin 6
Descriptor: IODIDE ION, Kinesin-like protein, SULFATE ION
Authors:Chen, Z, Guan, R, Zhang, L.
Deposit date:2017-02-04
Release date:2017-04-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin
Nat Commun, 8, 2017
6IH9
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BU of 6ih9 by Molmil
Adeno-Associated Virus 2 at 2.8 ang
Descriptor: Capsid protein VP1
Authors:Lou, Z.Y, Zhang, R.
Deposit date:2018-09-29
Release date:2019-07-03
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
6KQW
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BU of 6kqw by Molmil
Crystal structure of Yijc from B. subtilis
Descriptor: CITRIC ACID, Uncharacterized UDP-glucosyltransferase YjiC
Authors:Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-08-20
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
8UFD
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BU of 8ufd by Molmil
Multidrug efflux pump MtEfpA bound with inhibitor BRD8000.3
Descriptor: (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide, Integral membrane efflux protein EFPA, PHOSPHATIDYLETHANOLAMINE
Authors:Wang, S, Liao, M.
Deposit date:2023-10-04
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structures of the Mycobacterium tuberculosis efflux pump EfpA reveal the mechanisms of transport and inhibition.
Nat Commun, 15, 2024
8UFE
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BU of 8ufe by Molmil
Multidrug efflux pump EfpA from mycobacterium smegmatis
Descriptor: Integral membrane efflux protein EfpA, PHOSPHATIDYLETHANOLAMINE
Authors:Wang, S, Liao, M.
Deposit date:2023-10-04
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures of the Mycobacterium tuberculosis efflux pump EfpA reveal the mechanisms of transport and inhibition.
Nat Commun, 15, 2024
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
Descriptor: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, T.H, Guo, H.T, Ji, X.Y.
Deposit date:2021-11-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
4IJS
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BU of 4ijs by Molmil
Crystal structure of nucleocapsid protein encoded by the prototypic member of orthobunyavirus
Descriptor: Nucleoprotein, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
Authors:Li, B.B, Wang, Q, Lou, Z.Y.
Deposit date:2012-12-23
Release date:2013-04-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Bunyamwera virus possesses a distinct nucleocapsid protein to facilitate genome encapsidation
Proc.Natl.Acad.Sci.USA, 110, 2013
6NOI
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BU of 6noi by Molmil
Crystal structure of Tsn15 in apo form
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TRIETHYLENE GLYCOL, ...
Authors:Little, R, Paiva, F.C.R, Dias, M.V.B, Leadlay, P.
Deposit date:2019-01-16
Release date:2019-10-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis
Nat Catal, 2019
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2019-01-21
Release date:2019-03-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
9JNN
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BU of 9jnn by Molmil
Structure of native di-heteromeric GluN1-GluN2B NMDA receptor in rat cortex and hippocampus
Descriptor: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, M, Feng, J, Li, Y, Zhu, S.
Deposit date:2024-09-23
Release date:2025-02-05
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Assembly and architecture of endogenous NMDA receptors in adult cerebral cortex and hippocampus.
Cell, 188, 2025
6NCL
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BU of 6ncl by Molmil
Near-atomic structure of icosahedrally averaged PBCV-1 capsid
Descriptor: Major capsid protein, P1, P10, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2018-12-11
Release date:2019-01-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic structure of a giant virus.
Nat Commun, 10, 2019
6NNW
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BU of 6nnw by Molmil
Tsn15 in complex with substrate intermediate
Descriptor: (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ...
Authors:Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis
Nat Catal, 2019
1FTL
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BU of 1ftl by Molmil
CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH THE ANTAGONIST DNQX AT 1.8 A RESOLUTION
Descriptor: 6,7-DINITROQUINOXALINE-2,3-DIONE, GLUTAMATE RECEPTOR SUBUNIT 2, SULFATE ION
Authors:Armstrong, N, Gouaux, E.
Deposit date:2000-09-12
Release date:2000-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanisms for activation and antagonism of an AMPA-sensitive glutamate receptor: crystal structures of the GluR2 ligand binding core.
Neuron, 28, 2000
3WLW
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BU of 3wlw by Molmil
Molecular Architecture of the ErbB2 Extracellular Domain Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ...
Authors:Hu, S, Lou, Z.Y, Guo, Y.J.
Deposit date:2013-11-15
Release date:2015-05-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.088 Å)
Cite:Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
8YQP
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BU of 8yqp by Molmil
Crystal structure of HylD1 in complex with MEP
Descriptor: 2-ethoxycarbonylbenzoic acid, Lipase
Authors:Wang, N, Li, C.Y.
Deposit date:2024-03-19
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Molecular insights into the catalytic mechanism of a phthalate ester hydrolase.
J Hazard Mater, 476, 2024
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Liu, J.
Deposit date:2009-07-07
Release date:2010-06-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
8YQJ
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BU of 8yqj by Molmil
Crystal structure of HylD1
Descriptor: Lipase
Authors:Wang, N, Li, C.Y.
Deposit date:2024-03-19
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular insights into the catalytic mechanism of a phthalate ester hydrolase.
J Hazard Mater, 476, 2024
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CYP
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BU of 7cyp by Molmil
Complex of SARS-CoV-2 spike trimer with its neutralizing antibody HB27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of HB27, ...
Authors:Wang, X, Zhu, L.
Deposit date:2020-09-04
Release date:2021-06-09
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Double lock of a potent human therapeutic monoclonal antibody against SARS-CoV-2.
Natl Sci Rev, 8, 2021

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