2R6W
 
 | | Estrogen receptor alpha ligand-binding domain complexed to a SERM | | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone | | Authors: | Wang, Y. | | Deposit date: | 2007-09-06 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2OZY
 | | Crystal structure of E.coli nrfB | | Descriptor: | Cytochrome c-type protein nrfB, HEME C | | Authors: | Clarke, T.A, Richardson, D.J, Hemmings, A.M. | | Deposit date: | 2007-02-28 | | Release date: | 2007-08-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The crystal structure of the pentahaem c-type cytochrome NrfB and characterization of its solution-state interaction with the pentahaem nitrite reductase NrfA.
Biochem.J., 406, 2007
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2RG6
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J | | Descriptor: | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2007-10-02 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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2RDZ
 | | High Resolution Crystal Structure of the Escherichia coli Cytochrome c Nitrite Reductase. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ... | | Authors: | Clarke, T.A, Hemmings, A.M, RIchardson, D.J. | | Deposit date: | 2007-09-25 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Role of a Conserved Glutamine Residue in Tuning the Catalytic Activity of Escherichia coli Cytochrome c Nitrite Reductase.
Biochemistry, 47, 2008
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2REL
 | | SOLUTION STRUCTURE OF R-ELAFIN, A SPECIFIC INHIBITOR OF ELASTASE, NMR, 11 STRUCTURES | | Descriptor: | R-ELAFIN | | Authors: | Francart, C, Dauchez, M, Alix, A.J.P, Lippens, G. | | Deposit date: | 1997-04-01 | | Release date: | 1997-07-07 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of R-elafin, a specific inhibitor of elastase.
J.Mol.Biol., 268, 1997
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2R6Y
 | | Estrogen receptor alpha ligand-binding domain in complex with a SERM | | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone | | Authors: | Wang, Y. | | Deposit date: | 2007-09-06 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4PPZ
 | | Crystal structure of zinc-bound succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 | | Descriptor: | PHOSPHATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION | | Authors: | Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-02-27 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
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4PJC
 | | Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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8FEC
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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8FE2
 | | Structure of J-PKAc chimera complexed with Aplithianine A | | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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4PJE
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4PMM
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4PV8
 | | Crystal Structure of H2Kb-Q600F complex | | Descriptor: | ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Twist, K.-A, Rossjohn, J, Gras, S. | | Deposit date: | 2014-03-15 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
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4PMT
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4PJA
 | | Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PJ8
 | | Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PJF
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4PJ7
 | | Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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4PQA
 | | Crystal Structure of succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 in complex with the Inhibitor Captopril | | Descriptor: | L-CAPTOPRIL, SULFATE ION, Succinyl-diaminopimelate desuccinylase, ... | | Authors: | Nocek, B, Starus, A, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-03-01 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
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4PTE
 | | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4PTG
 | | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4Q13
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4Q1G
 | | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Polyketide biosynthesis enoyl-CoA isomerase PksI | | Authors: | Nair, A.V, Race, P.R, Till, M. | | Deposit date: | 2014-04-03 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
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4Q7W
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