4GAW
 
 | | Crystal structure of active human granzyme H | | Descriptor: | CHLORIDE ION, Granzyme H, SULFATE ION | | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | | Deposit date: | 2012-07-25 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
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4G9G
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4G5X
 | | Crystal structures of N-acyl homoserine lactonase AidH | | Descriptor: | Alpha/beta hydrolase fold protein | | Authors: | Liang, D.C, Yan, X.X, Gao, A. | | Deposit date: | 2012-07-18 | | Release date: | 2013-01-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
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4G8C
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4G8D
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6AGM
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8T9H
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8T9F
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6MDC
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389 | | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Fodor, M, Stams, T. | | Deposit date: | 2018-09-04 | | Release date: | 2019-02-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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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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5KQL
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5KQP
 | | Crystal structure of Apo-form LMW-PTP | | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Wang, J, Zhang, Z.-Y, Yu, Z.-H. | | Deposit date: | 2016-07-06 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
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6F57
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8THU
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5KQG
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5KQM
 | | Co-crystal structure of LMW-PTP in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Wang, J, Zhang, Z.-Y, Yu, Z.-H. | | Deposit date: | 2016-07-06 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
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6MDD
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3OMH
 | | Crystal structure of PTPN22 in complex with SKAP-HOM pTyr75 peptide | | Descriptor: | Src kinase-associated phosphoprotein 2, Tyrosine-protein phosphatase non-receptor type 22 | | Authors: | Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y. | | Deposit date: | 2010-08-26 | | Release date: | 2011-06-29 | | Last modified: | 2011-09-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Substrate Specificity of Lymphoid-specific Tyrosine Phosphatase (Lyp) and Identification of Src Kinase-associated Protein of 55 kDa Homolog (SKAP-HOM) as a Lyp Substrate.
J.Biol.Chem., 286, 2011
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2LWF
 | | Structure of N-terminal domain of a plant Grx | | Descriptor: | Monothiol glutaredoxin-S16, chloroplastic | | Authors: | Feng, Y. | | Deposit date: | 2012-07-28 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the N-terminal GIY-YIG endonuclease activity of Arabidopsis glutaredoxin AtGRXS16 in chloroplasts.
Proc.Natl.Acad.Sci.USA, 110, 2013
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8IFG
 | | Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe | | Descriptor: | Chromatin modification-related protein eaf3, Cph1, Cph2, ... | | Authors: | Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D. | | Deposit date: | 2023-02-17 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
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4Z16
 | | Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide | | Descriptor: | N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide, Tyrosine-protein kinase JAK3 | | Authors: | McNally, R, Tan, L, Gray, N.S, Eck, M.J. | | Deposit date: | 2015-03-26 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of Selective Covalent Janus Kinase 3 Inhibitors.
J.Med.Chem., 58, 2015
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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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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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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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