7XPX
 
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8HJE
 | | 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
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2MUX
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2PZ0
 | | 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
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5Z6N
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7DMC
 | | 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
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6ITW
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7LMV
 | | 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: | 2024-04-03 | | 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
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1Z68
 | | 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
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7LMX
 | | 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: | 2024-04-03 | | 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
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2KB7
 | | 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
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2LZE
 | | 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
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1ZJ6
 | | 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
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2ONC
 | | 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
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2M3G
 | | 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
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2MT6
 | | 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
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2KYV
 | | 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
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2LPF
 | | 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
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3G0D
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-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 (2.39 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0C
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | | 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 (2.69 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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4HMK
 | | 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
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3G0G
 | | 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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3G0B
 | | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | | Descriptor: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-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: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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7CMZ
 | | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
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4HOD
 | | 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
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