4C61
 
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J.A, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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4C62
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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2NMP
 | | Crystal structure of human Cystathionine gamma lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van-den-Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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5GPO
 | | The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa | | Descriptor: | SULFATE ION, Sensor protein CzcS, ZINC ION | | Authors: | Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H. | | Deposit date: | 2016-08-03 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa
PLoS Pathog., 13, 2017
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8XOJ
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1 | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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8XOH
 | | Cryo-EM structure of GPR30-Gq complex structure in the presence of E2 | | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, H, Xu, P, Xu, H.E. | | Deposit date: | 2024-01-01 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor.
Cell Res., 34, 2024
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3ELP
 | | Structure of cystationine gamma lyase | | Descriptor: | Cystathionine gamma-lyase | | Authors: | Sun, Q, Sivaraman, J. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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2R0U
 | | Crystal Structure of Chek1 in Complex with Inhibitor 54 | | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Ikuta, M. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
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6PMJ
 | | Sigm28-transcription initiation complex with specific promoter at the state 2 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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1FSA
 | | THE T-STATE STRUCTURE OF LYS 42 TO ALA MUTANT OF THE PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE, ... | | Authors: | Lu, G, Stec, B, Giroux, E, Kantrowitz, E.R. | | Deposit date: | 1996-08-24 | | Release date: | 1997-09-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence for an active T-state pig kidney fructose 1,6-bisphosphatase: interface residue Lys-42 is important for allosteric inhibition and AMP cooperativity.
Protein Sci., 5, 1996
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6PMI
 | | Sigm28-transcription initiation complex with specific promoter at the state 1 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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5GWE
 | | cytochrome P450 CREJ | | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | | Deposit date: | 2016-09-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | Descriptor: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dong, S, Du, L, Li, S, Feng, Y. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6N0P
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-11-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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5I5H
 | | Ecoli global domain 245-586 | | Descriptor: | Inner membrane protein YejM | | Authors: | Dong, C, Dong, H. | | Deposit date: | 2016-02-15 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
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5I5F
 | | Salmonella global domain 191 | | Descriptor: | Inner membrane protein YejM | | Authors: | Dong, C, Dong, H. | | Deposit date: | 2016-02-15 | | Release date: | 2016-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
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5I5D
 | | Salmonella global domain 245 | | Descriptor: | Inner membrane protein YejM | | Authors: | Dong, C, Dong, H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-04-19 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
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5UHT
 | | Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Liu, Y, Rose, J, Jiang, L, Zhou, P. | | Deposit date: | 2017-01-12 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
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4BCG
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4BCP
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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6LKV
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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6LR3
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | Deposit date: | 2020-01-15 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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6LKW
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor | | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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7DNH
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3 | | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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