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5WPY
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BU of 5wpy by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid 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, Tang, G, Cao, C.
登録日2016-11-21
公開日2017-11-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献major solution Structure of KstB-PCP in kosinostatin biosynthesis
To Be Published
5WPX
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BU of 5wpx by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
分子名称: Peptidyl carrier protein, ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
著者Zhao, B, Lan, W, Tang, G, Cao, C.
登録日2016-11-21
公開日2018-02-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
To Be Published
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
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
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
7JJ1
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BU of 7jj1 by Molmil
Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
分子名称: CETYL-TRIMETHYL-AMMONIUM, Cytochrome P450 51, IMIDAZOLE, ...
著者Zhao, B, Lamb, D.C.
登録日2020-07-24
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
To Be Published
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
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
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
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
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
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
分子名称: 7-[(4R,5S,6P)-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]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B, Fesik, S.W.
登録日2024-04-09
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor that Demonstrates Potent in Vivo Activities in Mouse Models of Hematological and Solid Tumors
J.Med.Chem., 2024
1AYW
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BU of 1ayw by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR
分子名称: 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AYV
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BU of 1ayv by Molmil
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR
分子名称: CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997
1AU3
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CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR
分子名称: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-09-10
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
1AYU
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CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR
分子名称: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-11-10
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of potent and selective human cathepsin K inhibitors that span the active site.
Proc.Natl.Acad.Sci.USA, 94, 1997

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