7LMV
 
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | 分子名称: | Integrin inhibitor | | 著者 | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | 登録日 | 2021-02-05 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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2LZE
 | | Ligase 10C | | 分子名称: | ZINC ION, a primordial catalytic fold generated by in vitro evolution | | 著者 | Chao, F, Morelli, A, Haugner, J, Churchfield, L, Hagmann, L, Shi, L, Masterson, L, Sarangi, R, Veglia, G, Seelig, B. | | 登録日 | 2012-10-01 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and dynamics of a primordial catalytic fold generated by in vitro evolution.
Nat.Chem.Biol., 9, 2013
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2M89
 | | Solution structure of the Aha1 dimer from Colwellia psychrerythraea | | 分子名称: | Aha1 domain protein | | 著者 | 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) | | 登録日 | 2013-05-09 | | 公開日 | 2013-09-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | | 主引用文献 | A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.
Proteins, 83, 2015
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2M3G
 | | Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy | | 分子名称: | Anabaena Sensory Rhodopsin, RETINAL | | 著者 | Wang, S, Munro, R.A, Shi, L, Kawamura, I, Okitsu, T, Wada, A, Kim, S, Jung, K, Brown, L.S, Ladizhansky, V. | | 登録日 | 2013-01-17 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | 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 | | 分子名称: | Ubiquitin-conjugating enzyme E2 W | | 著者 | Vittal, V, Shi, L, Wenzel, D.M, Brzovic, P.S, Klevit, R.E. | | 登録日 | 2014-08-14 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Intrinsic disorder drives N-terminal ubiquitination by Ube2w.
Nat.Chem.Biol., 11, 2015
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2N0K
 | | Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5 | | 分子名称: | Alpha-crystallin B chain | | 著者 | Rajagopal, P, Klevit, R.E, Shi, L, Baker, D. | | 登録日 | 2015-03-09 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
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2MUU
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2N3J
 | | Solution Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1 | | 分子名称: | Heat shock protein beta-1 | | 著者 | Rajagopal, P, Liu, Y, Shi, L, Klevit, R.E. | | 登録日 | 2015-06-03 | | 公開日 | 2015-08-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1.
J.Biomol.Nmr, 63, 2015
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2ONC
 | | Crystal structure of human DPP-4 | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2007-01-23 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
J.Med.Chem., 50, 2007
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2QDL
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7S2H
 | | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation) | | 分子名称: | CITRATE ANION, Glucokinase 1, putative, ... | | 著者 | Kearns, S.P, Daneshian, L, Swartz, P.D, Carey, S.M, Chruszcz, M, D'Antonio, E.L. | | 登録日 | 2021-09-03 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
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7S2N
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7S2P
 | | Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN | | 分子名称: | 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose, Glucokinase 1, SULFATE ION | | 著者 | Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L. | | 登録日 | 2021-09-03 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN
To Be Published
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5I12
 | | Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | | 分子名称: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-05 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I3M
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31). | | 分子名称: | (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-10 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I2Z
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I0L
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | | 分子名称: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-04 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I4O
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28). | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-12 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5I43
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | | 分子名称: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-11 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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6EKN
 | | Crystal structure of MMP12 in complex with inhibitor BE7. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-09-26 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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6ELA
 | | Crystal structure of MMP12 in complex with inhibitor BE4. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-09-28 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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6ESM
 | | Crystal structure of MMP9 in complex with inhibitor BE4. | | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | 登録日 | 2017-10-23 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.104 Å) | | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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6R5M
 | | Crystal structure of toxin MT9 from mamba venom | | 分子名称: | ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ... | | 著者 | Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L. | | 登録日 | 2019-03-25 | | 公開日 | 2020-02-12 | | 最終更新日 | 2022-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries
Biomed Pharmacother, 150, 2022
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1Z68
 | | Crystal Structure Of Human Fibroblast Activation Protein alpha | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2005-03-21 | | 公開日 | 2005-04-12 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and kinetic analysis of the substrate specificity of human fibroblast activation protein alpha.
J.Biol.Chem., 280, 2005
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1ZJ6
 | | Crystal structure of human ARL5 | | 分子名称: | ADP-ribosylation factor-like protein 5, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, SULFATE ION | | 著者 | Wang, Z.X, Shi, L, Liu, J.F, An, X.M, Chang, W.R, Liang, D.C. | | 登録日 | 2005-04-28 | | 公開日 | 2005-06-07 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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