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2MUX
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BU of 2mux by Molmil
SUMO2 non-covalently interacts with USP25 and downregulates its activity
Descriptor: Ubiquitin carboxyl-terminal hydrolase 25
Authors:Shi, L, Zhang, N, Wen, Y.
Deposit date:2014-09-18
Release date:2016-04-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:SUMO2 non-covalently interacts with USP25 and downregulates its activity
To be Published
2PZ0
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BU of 2pz0 by Molmil
Crystal structure of Glycerophosphodiester Phosphodiesterase (GDPD) from T. tengcongensis
Descriptor: CALCIUM ION, GLYCEROL, Glycerophosphoryl diester phosphodiesterase
Authors:Shi, L, Liu, J.F, An, X.M, Liang, D.C.
Deposit date:2007-05-17
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) from Thermoanaerobacter tengcongensis, a metal ion-dependent enzyme: insight into the catalytic mechanism.
Proteins, 72, 2008
6ITW
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BU of 6itw by Molmil
Crystal structure of Atu4351 from Agrobacterium tumefaciens
Descriptor: Type VI immunity protein Atu4351
Authors:Shi, L, Gao, Z, Zhang, H, Dong, Y.
Deposit date:2018-11-26
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the type VI immunity protein Tdi1 (Atu4351) from Agrobacterium tumefaciens.
Acta Crystallogr F Struct Biol Commun, 75, 2019
8HJE
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BU of 8hje by Molmil
Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28
Descriptor: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N.
Deposit date:2022-11-23
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
3GM5
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BU of 3gm5 by Molmil
Crystal structure of a putative methylmalonyl-coenzyme A epimerase from Thermoanaerobacter tengcongensis at 2.0 A resolution
Descriptor: CITRIC ACID, Lactoylglutathione lyase and related lyases, SULFATE ION
Authors:Liang, D.-C, Shi, L, Gao, P, Yan, X.-X.
Deposit date:2009-03-12
Release date:2009-09-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative methylmalonyl-coenzyme a epimerase from Thermoanaerobacter tengcongensis at 2.0 A resolution
Proteins, 77, 2009
7DMC
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BU of 7dmc by Molmil
Dipyridamole binds to the N-terminal domain of human Hsp90A
Descriptor: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ...
Authors:Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
1ZJ6
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BU of 1zj6 by Molmil
Crystal structure of human ARL5
Descriptor: ADP-ribosylation factor-like protein 5, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, SULFATE ION
Authors:Wang, Z.X, Shi, L, Liu, J.F, An, X.M, Chang, W.R, Liang, D.C.
Deposit date:2005-04-28
Release date:2005-06-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0A crystal structure of human ARL5-GDP3'P, a novel member of the small GTP-binding proteins
Biochem.Biophys.Res.Commun., 332, 2005
1Z68
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BU of 1z68 by Molmil
Crystal Structure Of Human Fibroblast Activation Protein alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aertgeerts, K, Levin, I, Shi, L, Prasad, G.S, Zhang, Y, Kraus, M.L, Salakian, S, Snell, G.P, Sridhar, V, Wijnands, R, Tennant, M.G.
Deposit date:2005-03-21
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and kinetic analysis of the substrate specificity of human fibroblast activation protein alpha.
J.Biol.Chem., 280, 2005
2KB7
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BU of 2kb7 by Molmil
Hybrid solution and solid-state NMR structure of monomeric phospholamban in lipid bilayers
Descriptor: Phospholamban
Authors:Traaseth, N.J, Shi, L, Verardi, R, Veglia, G.
Deposit date:2008-11-21
Release date:2009-06-16
Last modified:2022-03-16
Method:SOLID-STATE NMR, SOLUTION NMR
Cite:Structure and topology of monomeric phospholamban in lipid membranes determined by a hybrid solution and solid-state NMR approach.
Proc.Natl.Acad.Sci.USA, 106, 2009
2LZE
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BU of 2lze by Molmil
Ligase 10C
Descriptor: ZINC ION, a primordial catalytic fold generated by in vitro evolution
Authors:Chao, F, Morelli, A, Haugner, J, Churchfield, L, Hagmann, L, Shi, L, Masterson, L, Sarangi, R, Veglia, G, Seelig, B.
Deposit date:2012-10-01
Release date:2012-10-24
Last modified:2013-02-06
Method:SOLUTION NMR
Cite:Structure and dynamics of a primordial catalytic fold generated by in vitro evolution.
Nat.Chem.Biol., 9, 2013
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-05
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-06
Release date:2022-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
2KYV
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BU of 2kyv by Molmil
Hybrid solution and solid-state NMR structure ensemble of phospholamban pentamer
Descriptor: Phospholamban
Authors:Verardi, R, Shi, L, Traaseth, N.J, Veglia, G.
Deposit date:2010-06-08
Release date:2011-05-11
Last modified:2011-07-13
Method:SOLID-STATE NMR, SOLUTION NMR
Cite:Structural topology of phospholamban pentamer in lipid bilayers by a hybrid solution and solid-state NMR method.
Proc.Natl.Acad.Sci.USA, 108, 2011
2LPF
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BU of 2lpf by Molmil
R state structure of monomeric phospholamban (C36A, C41F, C46A)
Descriptor: Cardiac phospholamban
Authors:De Simone, A, Montalvao, R.W, Gustavsson, M, Shi, L, Veglia, G, Vendruscolo, M.
Deposit date:2012-02-11
Release date:2013-02-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structures of the Excited States of Phospholamban and Shifts in Their Populations upon Phosphorylation.
Biochemistry, 52, 2013
2M3G
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BU of 2m3g by Molmil
Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy
Descriptor: Anabaena Sensory Rhodopsin, RETINAL
Authors:Wang, S, Munro, R.A, Shi, L, Kawamura, I, Okitsu, T, Wada, A, Kim, S, Jung, K, Brown, L.S, Ladizhansky, V.
Deposit date:2013-01-17
Release date:2013-08-21
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Solid-state NMR spectroscopy structure determination of a lipid-embedded heptahelical membrane protein.
Nat.Methods, 10, 2013
2M89
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BU of 2m89 by Molmil
Solution structure of the Aha1 dimer from Colwellia psychrerythraea
Descriptor: Aha1 domain protein
Authors:Rossi, P, Sgourakis, N.G, Shi, L, Liu, G, Barbieri, C.M, Lee, H, Grant, T.D, Luft, J.R, Xiao, R, Acton, T.B, Montelione, G.T, Snell, E.H, Baker, D, Lange, O.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-09
Release date:2013-09-04
Last modified:2016-04-27
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.
Proteins, 83, 2015
2MT6
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BU of 2mt6 by Molmil
Solution structure of the human ubiquitin conjugating enzyme Ube2w
Descriptor: Ubiquitin-conjugating enzyme E2 W
Authors:Vittal, V, Shi, L, Wenzel, D.M, Brzovic, P.S, Klevit, R.E.
Deposit date:2014-08-14
Release date:2014-11-26
Last modified:2015-01-14
Method:SOLUTION NMR
Cite:Intrinsic disorder drives N-terminal ubiquitination by Ube2w.
Nat.Chem.Biol., 11, 2015
2N3J
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BU of 2n3j by Molmil
Solution Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1
Descriptor: Heat shock protein beta-1
Authors:Rajagopal, P, Liu, Y, Shi, L, Klevit, R.E.
Deposit date:2015-06-03
Release date:2015-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1.
J.Biomol.Nmr, 63, 2015
2N0K
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BU of 2n0k by Molmil
Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5
Descriptor: Alpha-crystallin B chain
Authors:Rajagopal, P, Klevit, R.E, Shi, L, Baker, D.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
2MUU
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BU of 2muu by Molmil
The Proteolytic Activity of Ubiquitin-specific Protease 28 Is Modulated by the N-terminal Domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 28
Authors:Wen, Y, Shi, L, Zhang, N.
Deposit date:2014-09-17
Release date:2016-04-20
Method:SOLUTION NMR
Cite:The N-terminal ubiquitin-binding region of ubiquitin-specific protease 28 modulates its deubiquitination function: NMR structural and mechanistic insights.
Biochem.J., 471, 2015
2ONC
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BU of 2onc by Molmil
Crystal structure of human DPP-4
Descriptor: 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feng, J, Zhang, Z, Wallace, M.B, Stafford, J.A, Kaldor, S.W, Kassel, D.B, Navre, M, Shi, L, Skene, R.J, Asakawa, T, Takeuchi, K, Xu, R, Webb, D.R, Gwaltney, S.L.
Deposit date:2007-01-23
Release date:2008-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
J.Med.Chem., 50, 2007
2QDL
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BU of 2qdl by Molmil
Crystal structure of scaffolding protein TtCheW from Thermoanaerobacter tengcongensis
Descriptor: Chemotaxis signal transduction protein, GLYCEROL
Authors:Yao, W, Shi, L, Liang, D.C.
Deposit date:2007-06-21
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of scaffolding protein CheW from thermoanaerobacter tengcongensis.
Biochem.Biophys.Res.Commun., 361, 2007
4HMK
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BU of 4hmk by Molmil
Crystal structure of LeuT-E290S with bound Br
Descriptor: BROMIDE ION, LEUCINE, SODIUM ION, ...
Authors:Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P.
Deposit date:2012-10-18
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
4HOD
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BU of 4hod by Molmil
Crystal structure of LeuT-E290S with bound Cl
Descriptor: CHLORIDE ION, LEUCINE, SODIUM ION, ...
Authors:Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P.
Deposit date:2012-10-22
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
3G0G
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BU of 3g0g by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3
Descriptor: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 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, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011

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