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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3QKK
 | | Spirochromane Akt Inhibitors | | Descriptor: | GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3LZF
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3CCB
 | | Crystal Structure of Human DPP4 in complex with a benzimidazole derivative | | Descriptor: | 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wallace, M.B, Skene, R.J. | | Deposit date: | 2008-02-25 | | Release date: | 2008-10-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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6MX8
 | | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | | Authors: | Dougan, D.R, Zhou, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
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6PAI
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4I9H
 | | Crystal structure of rabbit LDHA in complex with AP28669 | | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I8X
 | | Crystal structure of rabbit LDHA in complex with AP27460 | | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I9U
 | | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I9N
 | | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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8D3F
 | | Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST | | Descriptor: | Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST | | Authors: | Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D. | | Deposit date: | 2022-06-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
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8D52
 | | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine | | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8D51
 | | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan | | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7YUA
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7YV0
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2G0I
 | | Crystal structure of SMU.848 from Streptococcus mutans | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, hypothetical protein SMU.848 | | Authors: | Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H. | | Deposit date: | 2006-02-13 | | Release date: | 2006-08-08 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of SMU.848 from Streptococcus mutans
To be Published
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8FGZ
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8FH2
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8FGY
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8FH0
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8FH1
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2G0J
 | | Crystal structure of SMU.848 from Streptococcus mutans | | Descriptor: | hypothetical protein SMU.848 | | Authors: | Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H. | | Deposit date: | 2006-02-13 | | Release date: | 2006-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of SMU.848 from Streptococcus mutans
To be Published
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3DEZ
 | | Crystal structure of Orotate phosphoribosyltransferase from Streptococcus mutans | | Descriptor: | Orotate phosphoribosyltransferase, SULFATE ION | | Authors: | Liu, C.P, Gao, Z.Q, Hou, H.F, Li, L.F, Su, X.D, Dong, Y.H. | | Deposit date: | 2008-06-11 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of orotate phosphoribosyltransferase from the caries pathogen Streptococcus mutans
Acta Crystallogr.,Sect.F, 66, 2010
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2HCU
 | | Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans | | Descriptor: | 3-isopropylmalate dehydratase small subunit, SULFATE ION | | Authors: | Gao, Z.Q, Hou, H.F, Li, L.F, Liang, Y.H, Su, X.D, Dong, Y.H. | | Deposit date: | 2006-06-19 | | Release date: | 2006-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
To be Published
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4N5Y
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