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6CMR
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BU of 6cmr by Molmil
Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CMS
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BU of 6cms by Molmil
Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CMP
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BU of 6cmp by Molmil
Closed structure of inactive SHP2 mutant C459E
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CMQ
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BU of 6cmq by Molmil
Structure of human SHP2 without N-SH2 domain
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
3I6K
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BU of 3i6k by Molmil
Newly identified epitope from SARS-CoV membrane protein complexed with HLA-A*0201
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Liu, J, Sun, Y, Qi, J, Chu, F, Wu, H, Gao, F, Li, T, Yan, J, Gao, G.F.
Deposit date:2009-07-07
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 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
3V32
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BU of 3v32 by Molmil
Crystal structure of MCPIP1 N-terminal conserved domain
Descriptor: Ribonuclease ZC3H12A
Authors:Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z.
Deposit date:2011-12-12
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
3V34
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BU of 3v34 by Molmil
Crystal structure of MCPIP1 conserved domain with magnesium ion in the catalytic center
Descriptor: MAGNESIUM ION, Ribonuclease ZC3H12A
Authors:Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z.
Deposit date:2011-12-12
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
3V33
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BU of 3v33 by Molmil
Crystal structure of MCPIP1 conserved domain with zinc-finger motif
Descriptor: Ribonuclease ZC3H12A
Authors:Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z.
Deposit date:2011-12-12
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
1MIU
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BU of 1miu by Molmil
Structure of a BRCA2-DSS1 complex
Descriptor: Breast Cancer type 2 susceptibility protein, Deleted in split hand/split foot protein 1, MERCURY (II) ION
Authors:Yang, H, Jeffrey, P.D, Miller, J, Kinnucan, E, Sun, Y, Thoma, N.H, Zheng, N, Chen, P.L, Lee, W.H, Pavletich, N.P.
Deposit date:2002-08-23
Release date:2002-09-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure
Science, 297, 2002
1MJE
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BU of 1mje by Molmil
STRUCTURE OF A BRCA2-DSS1-SSDNA COMPLEX
Descriptor: 5'-D(P*TP*TP*TP*TP*TP*T)-3', Deleted in split hand/split foot protein 1, breast cancer 2
Authors:Yang, H, Jeffrey, P.D, Miller, J, Kinnucan, E, Sun, Y, Thoma, N.H, Zheng, N, Chen, P.L, Lee, W.H, Pavletich, N.P.
Deposit date:2002-08-27
Release date:2002-09-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure.
Science, 297, 2002
6SMH
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BU of 6smh by Molmil
Cryo-electron microscopy structure of a RbcL-Raf1 supercomplex from Synechococcus elongatus PCC 7942
Descriptor: Ribulose bisphosphate carboxylase large chain, Rubisco accumulation factor 1 (RAF1) peptide
Authors:Huang, F, Kong, W.-W, Sun, Y, Chen, T, Dykes, G.F, Jiang, Y.L, Liu, L.N.
Deposit date:2019-08-21
Release date:2020-07-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Rubisco accumulation factor 1 (Raf1) plays essential roles in mediating Rubisco assembly and carboxysome biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VGU
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BU of 6vgu by Molmil
Crystal structure of FERM-folded talin head domain bound to the NPLY motif of beta3-integrin
Descriptor: Integrin beta-3,Talin-1
Authors:Zhang, P, Sun, Y, Wu, J.
Deposit date:2020-01-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of the FERM-folded talin head reveals the determinants for integrin binding.
Proc.Natl.Acad.Sci.USA, 117, 2020
1Q2U
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BU of 1q2u by Molmil
Crystal structure of DJ-1/RS and implication on familial Parkinson's disease
Descriptor: RNA-binding protein regulatory subunit
Authors:Huai, Q, Sun, Y, Wang, H, Chin, L.S, Li, L, Robinson, H, Ke, H.
Deposit date:2003-07-26
Release date:2003-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of DJ-1/RS and implication on familial Parkinson's disease
Febs Lett., 549, 2003
5BUS
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BU of 5bus by Molmil
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
5BUQ
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BU of 5buq by Molmil
Unliganded Form of O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, Solved at 1.98 Angstroms
Descriptor: 2-succinylbenzoate--CoA ligase, ACETATE ION, CALCIUM ION
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
5BUR
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BU of 5bur by Molmil
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in Complex with ATP and Magnesium Ion
Descriptor: 1,2-ETHANEDIOL, 2-succinylbenzoate--CoA ligase, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
2FM5
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BU of 2fm5 by Molmil
Crystal structure of PDE4D2 in complex with inhibitor L-869299
Descriptor: (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-07
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
2FM0
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BU of 2fm0 by Molmil
Crystal structure of PDE4D in complex with L-869298
Descriptor: (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H.
Deposit date:2006-01-06
Release date:2006-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase
J.Med.Chem., 49, 2006
8E3I
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BU of 8e3i by Molmil
CRYO-EM STRUCTURE OF the human MPSF IN COMPLEX WITH THE AUUAAA poly(A) signal
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*CP*AP*UP*UP*AP*AP*AP*CP*AP*AP*C)-3'), ...
Authors:Gutierrez, P.A, Wei, J, Sun, Y, Tong, L.
Deposit date:2022-08-17
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Molecular basis for the recognition of the AUUAAA polyadenylation signal by mPSF.
Rna, 28, 2022
8E3Q
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BU of 8e3q by Molmil
CRYO-EM STRUCTURE OF the human MPSF
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, ZINC ION, ...
Authors:Gutierrez, P.A, Wei, J, Sun, Y, Tong, L.
Deposit date:2022-08-17
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Molecular basis for the recognition of the AUUAAA polyadenylation signal by mPSF.
Rna, 28, 2022
7U8G
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BU of 7u8g by Molmil
Cryo-EM structure of the core human NADPH oxidase NOX2
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ...
Authors:Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T.
Deposit date:2022-03-08
Release date:2022-10-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the core human NADPH oxidase NOX2.
Nat Commun, 13, 2022
4JGZ
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BU of 4jgz by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
4JGY
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BU of 4jgy by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group P4232)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, Mcauley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
2N1K
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BU of 2n1k by Molmil
Structure of the Third Type III Domain from Human Fibronectin
Descriptor: Fibronectin
Authors:Stine, J.M, Sun, Y, Armstrong, G, Briknarova, K.
Deposit date:2015-04-04
Release date:2015-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Unfolding of the Third Type III Domain from Human Fibronectin.
Biochemistry, 54, 2015
5U0N
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BU of 5u0n by Molmil
Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin
Descriptor: (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ...
Authors:Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B.
Deposit date:2016-11-25
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017

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