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2R5T
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BU of 2r5t by Molmil
Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G.
登録日2007-09-04
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
1T93
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BU of 1t93 by Molmil
Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
分子名称: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
著者Zhao, B, Sundaramoorthy, M, Waterman, M.R.
登録日2004-05-14
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
3QZ1
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BU of 3qz1 by Molmil
Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 21-hydroxylase
著者Zhao, B, Waterman, M.R.
登録日2011-03-04
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21)
To be Published
3TZO
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BU of 3tzo by Molmil
The role of I87 of CYP158A2 in oxidative coupling reaction
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450, SPERMINE
著者Zhao, B, Waterman, M.R.
登録日2011-09-27
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The role of Ile87 of CYP158A2 in oxidative coupling reaction.
Arch.Biochem.Biophys., 518, 2012
3TYW
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BU of 3tyw by Molmil
Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
著者Zhao, B, Waterman, M.R.
登録日2011-09-26
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of CYP105N1 from Streptomyces coelicolor A3(2)
To be Published
2MY5
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BU of 2my5 by Molmil
Solution Structure of KstB-PCP in kosinostatin biosynthesis
分子名称: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
著者Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
登録日2015-01-20
公開日2016-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
2MY6
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BU of 2my6 by Molmil
Structure of KstB-PCP(apo)
分子名称: Peptidyl carrier protein
著者Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
登録日2015-01-20
公開日2016-01-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
4QTH
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BU of 4qth by Molmil
Crystal structure of anti-uPAR Fab 8B12
分子名称: anti-uPAR antibody, heavy chain, light chain
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4F55
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BU of 4f55 by Molmil
Crystal Structure of the Catalytic Domain of the Bacillus cereus SleB Protein
分子名称: PHOSPHATE ION, Spore cortex-lytic enzyme
著者Hao, B.
登録日2012-05-11
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Catalytic Domain of the Bacillus cereus SleB Protein, Important in Cortex Peptidoglycan Degradation during Spore Germination.
J.Bacteriol., 194, 2012
4HRO
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BU of 4hro by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 1
分子名称: CALCIUM ION, Small archaeal modifier protein 1
著者Hao, B.
登録日2012-10-28
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of H. volcanii small archaeal modifier protein 1
To be Published
4HRS
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BU of 4hrs by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 2
分子名称: Small archaeal modifier protein 2
著者Hao, B.
登録日2012-10-28
公開日2013-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
7DLY
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BU of 7dly by Molmil
Crystal structure of Arabidopsis ACS7 mutant in complex with PPG
分子名称: (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
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7DLW
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BU of 7dlw by Molmil
Crystal structure of Arabidopsis ACS7 in complex with PPG
分子名称: (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
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
分子名称: 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
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
5FDO
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BU of 5fdo by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FC4
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BU of 5fc4 by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 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
著者Zhao, B.
登録日2015-12-14
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 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
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
4X1N
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BU of 4x1n by Molmil
The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1Q
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BU of 4x1q by Molmil
The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2015-11-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1S
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BU of 4x1s by Molmil
The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-10-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1R
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BU of 4x1r by Molmil
The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4
分子名称: 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
6O8C
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BU of 6o8c by Molmil
Crystal structure of STING CTT in complex with TBK1
分子名称: 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
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
6NE5
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BU of 6ne5 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
分子名称: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
6O8B
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BU of 6o8b by Molmil
Crystal structure of STING CTD in complex with TBK1
分子名称: 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
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
5KH8
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BU of 5kh8 by Molmil
Solution structures of the apo state fluoride riboswitch
分子名称: riboswitch (47-MER)
著者Zhang, Q, Zhao, B.
登録日2016-06-14
公開日2017-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An excited state underlies gene regulation of a transcriptional riboswitch.
Nat. Chem. Biol., 13, 2017

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