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4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
Descriptor: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
6J5S
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BU of 6j5s by Molmil
Crystal structure of human HINT1 mutant complexing with AP5A
Descriptor: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-11
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J53
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BU of 6j53 by Molmil
Crystal structure of human HINT1 complexing with ATP
Descriptor: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-10
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J58
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BU of 6j58 by Molmil
Crystal structure of human HINT1 complexing with AP4A
Descriptor: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-10
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J64
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BU of 6j64 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A
Descriptor: 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
Descriptor: PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
Authors:Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
Deposit date:2017-09-02
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
Descriptor: 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, Spike protein S1, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-12-20
Release date:2021-02-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
6J5Z
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BU of 6j5z by Molmil
Crystal structure of human HINT1 mutant complexing with AP3A
Descriptor: ADENOSINE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-12
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J65
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BU of 6j65 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A II
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-14
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
7DQA
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BU of 7dqa by Molmil
Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Wang, J, Lan, J, Wang, X.Q, Wang, H.W.
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
8JRL
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BU of 8jrl by Molmil
Crystal structure of P450 TleB with an indole alkaloid
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Yan, W.P.
Deposit date:2023-06-17
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
2LY0
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BU of 2ly0 by Molmil
Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332
Descriptor: (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2
Authors:Wu, Y, Wang, J, DeGrado, W.
Deposit date:2012-09-10
Release date:2013-01-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
5YYS
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BU of 5yys by Molmil
Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis
Descriptor: L-fucokinase, L-fucose-1-P guanylyltransferase
Authors:Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L.
Deposit date:2017-12-11
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis.
Protein Cell, 10, 2019
7DK2
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BU of 7dk2 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S.
Deposit date:2020-11-22
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Architectural versatility of spike neutralization by a SARS-CoV-2 antibody
To Be Published
8HXS
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BU of 8hxs by Molmil
Small_spotted catshark CD8alpha
Descriptor: T-cell surface glycoprotein CD8 alpha chain
Authors:Wang, J, Zou, J.
Deposit date:2023-01-05
Release date:2023-02-22
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The first crystal structure of CD8 alpha alpha from a cartilaginous fish.
Front Immunol, 14, 2023
8HVY
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BU of 8hvy by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814
Descriptor: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-28
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
5V2C
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BU of 5v2c by Molmil
RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Wang, J, Wiwczar, J.M, Brudvig, G.W.
Deposit date:2017-03-03
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
5VCJ
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BU of 5vcj by Molmil
Structure of alpha-galactosylphytosphingosine bound by CD1d and in complex with the Va14Vb8.2 TCR
Descriptor: (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Wang, J, Zajonc, D.M.
Deposit date:2017-03-31
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Enhancing T cell responses and tumour immunity by vaccination with peptides conjugated to a weak NKT cell agonist.
Org. Biomol. Chem., 17, 2019
7LHL
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BU of 7lhl by Molmil
cryo-EM structure of Mycobacterium smegmatis Lhr helicase C-terminal domain
Descriptor: ATP-dependent DNA helicase
Authors:Wang, J, Warren, G.M, Shuman, S, Patel, D.J.
Deposit date:2021-01-25
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Oligomeric quaternary structure of Escherichia coli and Mycobacterium smegmatis Lhr helicases is nucleated by a novel C-terminal domain composed of five winged-helix modules.
Nucleic Acids Res., 49, 2021
7LU6
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BU of 7lu6 by Molmil
Crystal structure of the mouse Kirrel3 D1 homodimer
Descriptor: Kin of IRRE-like protein 3, SODIUM ION
Authors:Roman, C.A, Pak, J.S, Wang, J, Ozkan, E.
Deposit date:2021-02-21
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors.
Cell Rep, 37, 2021
7LTW
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BU of 7ltw by Molmil
Crystal structure of the mouse Kirrel2 D1 homodimer
Descriptor: Kin of IRRE-like protein 2, SODIUM ION
Authors:Roman, C.A, Pak, J.S, Wang, J, Ozkan, E.
Deposit date:2021-02-20
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors.
Cell Rep, 37, 2021
6NBN
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BU of 6nbn by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
Descriptor: AAEL005772-PA, ARACHIDONIC ACID
Authors:Jones, D.N, Wang, J.
Deposit date:2018-12-07
Release date:2018-12-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OGH
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BU of 6ogh by Molmil
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ...
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-02
Release date:2019-04-24
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
4MX7
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BU of 4mx7 by Molmil
Structure of mouse CD1d in complex with dioleoyl-phosphatidic acid
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Wang, J.
Deposit date:2013-09-25
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:TBN
To be Published
7YKD
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BU of 7ykd by Molmil
Cryo-EM structure of the human chemerin receptor 1 complex with the C-terminal nonapeptide of chemerin
Descriptor: CHOLESTEROL, Chemerin-like receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, G, Liao, Q, Ye, R.D, Wang, J.
Deposit date:2022-07-22
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Cryo-EM structure of the human chemerin receptor 1-Gi protein complex bound to the C-terminal nonapeptide of chemerin.
Proc.Natl.Acad.Sci.USA, 120, 2023

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