2R5T
 
 | | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | | Deposit date: | 2007-09-04 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
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1T93
 | | Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2) | | Descriptor: | FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450 | | Authors: | Zhao, B, Sundaramoorthy, M, Waterman, M.R. | | Deposit date: | 2004-05-14 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
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3QZ1
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3TZO
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3TYW
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2MY5
 | | Solution Structure of KstB-PCP in kosinostatin biosynthesis | | Descriptor: | N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein | | Authors: | Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | 1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
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2MY6
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4QTH
 | | Crystal structure of anti-uPAR Fab 8B12 | | Descriptor: | anti-uPAR antibody, heavy chain, light chain | | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | | Deposit date: | 2014-07-08 | | Release date: | 2015-02-25 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
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4F55
 | | Crystal Structure of the Catalytic Domain of the Bacillus cereus SleB Protein | | Descriptor: | PHOSPHATE ION, Spore cortex-lytic enzyme | | Authors: | Hao, B. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Bacillus cereus SleB Protein, Important in Cortex Peptidoglycan Degradation during Spore Germination.
J.Bacteriol., 194, 2012
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4HRO
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4HRS
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7DLY
 | | Crystal structure of Arabidopsis ACS7 mutant in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7 | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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7DLW
 | | Crystal structure of Arabidopsis ACS7 in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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6BW2
 | | Mcl-1 complexed with small molecules | | Descriptor: | 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2017-12-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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5FC4
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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5FDR
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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4X1N
 | | The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4 | | Descriptor: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X1Q
 | | The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4 | | Descriptor: | Urokinase-type plasminogen activator, mupain-1 | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X1S
 | | The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | | Descriptor: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-10-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X1R
 | | The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4 | | Descriptor: | 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12 | | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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6O8C
 | | Crystal structure of STING CTT in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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6NE5
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6O8B
 | | Crystal structure of STING CTD in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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5KH8
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