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2KCK
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BU of 2kck by Molmil
NMR solution structure of the Northeast Structural Genomics Consortium (NESG) target MrR121A
Descriptor: TPR repeat
Authors:Barb, A.W, Lee, H.-W, Wang, X, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the Northeast Structural Genomics Target MrR121A
To be Published
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
4MH7
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BU of 4mh7 by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ...
Authors:Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2013-08-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
2PQ6
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BU of 2pq6 by Molmil
Crystal structure of Medicago truncatula UGT85H2- Insights into the structural basis of a multifunctional (Iso) flavonoid glycosyltransferase
Descriptor: UDP-glucuronosyl/UDP-glucosyltransferase
Authors:Li, L, Modolo, L.V, Escamilla-Trevino, L.L, Wang, X.
Deposit date:2007-05-01
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Medicago truncatula UGT85H2 - Insights into the Structural Basis of a Multifunctional (Iso)flavonoid Glycosyltransferase.
J.Mol.Biol., 370, 2007
2KS6
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BU of 2ks6 by Molmil
NMR solution structure of ALG13 --- obtained with iterative CS-Rosetta from backbone NMR data.
Descriptor: UDP-N-acetylglucosamine transferase subunit ALG13
Authors:Lange, O.F, Wang, X, Prestegard, J.H, Baker, D.
Deposit date:2009-12-29
Release date:2011-01-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure determination for larger proteins using backbone-only data.
Science, 327, 2010
2N6F
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BU of 2n6f by Molmil
Structure of Pleiotrophin
Descriptor: Pleiotrophin
Authors:Ryan, E.O, Shen, D, Wang, X.
Deposit date:2015-08-20
Release date:2016-04-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural studies reveal an important role for the pleiotrophin C-terminus in mediating interactions with chondroitin sulfate.
Febs J., 283, 2016
2N62
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BU of 2n62 by Molmil
ddFLN5+110
Descriptor: gelation factor, secretion monitor chimera
Authors:Cabrita, L.D, Cassaignau, A.M.E, Launay, H.M.M, Waudby, C.A, Camilloni, C, Robertson, A.L, Wang, X, Wlodarski, T, Wentink, A.S, Vendruscolo, M, Dobson, C.M, Christodoulou, J.
Deposit date:2015-08-10
Release date:2016-03-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A structural ensemble of a ribosome-nascent chain complex during cotranslational protein folding.
Nat.Struct.Mol.Biol., 23, 2016
5YC0
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BU of 5yc0 by Molmil
Crystal structure of LP-46/N44
Descriptor: Envelope glycoprotein, LP-46
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-05
Release date:2018-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
7E5S
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BU of 7e5s by Molmil
SARS-CoV-2 S trimer with four-antibody cocktail complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FC05 heavy chain, FC05 light chain, ...
Authors:Sun, Y, Wang, L, Wang, N, Feng, R, Wang, X.
Deposit date:2021-02-20
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure-based development of three- and four-antibody cocktails against SARS-CoV-2 via multiple mechanisms.
Cell Res., 31, 2021
7E5R
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BU of 7e5r by Molmil
SARS-CoV-2 S trimer with three-antibody cocktail complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FC05 heavy chain, FC05 light chain, ...
Authors:Sun, Y, Wang, L, Wang, N, Feng, R, Wang, X.
Deposit date:2021-02-20
Release date:2021-10-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure-based development of three- and four-antibody cocktails against SARS-CoV-2 via multiple mechanisms.
Cell Res., 31, 2021
7EVM
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BU of 7evm by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-05-21
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7F3Q
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BU of 7f3q by Molmil
SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ...
Authors:Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K.
Deposit date:2021-06-16
Release date:2022-06-22
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method.
Antib Ther, 6, 2023
7DUQ
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BU of 7duq by Molmil
Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7DUR
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BU of 7dur by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
6LTH
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BU of 6lth by Molmil
Structure of human BAF Base module
Descriptor: AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ...
Authors:He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
Deposit date:2020-01-22
Release date:2020-02-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
6MEP
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BU of 6mep by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC3437
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
Authors:Da, C, Zhang, D, Stashko, M.A, Cheng, A, Hunter, D, Norris-Drouin, J, Graves, L, Machius, M, Miley, M.J, DeRyckere, D, Earp, H.S, Graham, D.K, Frye, S.V, Wang, X, Kireev, D.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Data-Driven Construction of Antitumor Agents with Controlled Polypharmacology.
J.Am.Chem.Soc., 141, 2019
7D7N
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BU of 7d7n by Molmil
Cryo-EM structure of human ABCB6 transporter
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C.
Deposit date:2020-10-05
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-electron microscopy structure of human ABCB6 transporter.
Protein Sci., 29, 2020
6N04
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BU of 6n04 by Molmil
The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces
Descriptor: AbsH3, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Clinger, J.A, Wang, X, Cai, W, Miller, M.D, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2018-11-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.
Proteins, 2020
6NO8
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BU of 6no8 by Molmil
PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, wang, X.
Deposit date:2019-01-15
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma
To be published
6LTJ
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BU of 6ltj by Molmil
Structure of nucleosome-bound human BAF complex
Descriptor: AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ...
Authors:He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
Deposit date:2020-01-22
Release date:2020-02-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
7D7R
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BU of 7d7r by Molmil
Cryo-EM structure of the core domain of human ABCB6 transporter
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C.
Deposit date:2020-10-05
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-electron microscopy structure of human ABCB6 transporter.
Protein Sci., 29, 2020
5ZMY
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BU of 5zmy by Molmil
Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids
Descriptor: Cis-epoxysuccinate hydrolase, D(-)-TARTARIC ACID, ZINC ION
Authors:Dong, S, Liu, X, Wang, X, Feng, Y.
Deposit date:2018-04-06
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid.
Chem. Commun. (Camb.), 54, 2018
5ZMU
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BU of 5zmu by Molmil
Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids
Descriptor: Cis-epoxysuccinate hydrolase, ZINC ION
Authors:Dong, S, Liu, X, Wang, X, Feng, Y.
Deposit date:2018-04-06
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid.
Chem. Commun. (Camb.), 54, 2018
6I2K
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BU of 6i2k by Molmil
Structure of EV71 complexed with its receptor SCARB2
Descriptor: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I.
Deposit date:2018-11-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
6JHR
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BU of 6jhr by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F6
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-18
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019

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