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3X3M
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BU of 3x3m by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
分子名称: CALCIUM ION, ESX-1 secretion system protein EccB1
著者Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
登録日2015-01-24
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
3X3N
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BU of 3x3n by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
分子名称: CALCIUM ION, ESX-1 secretion system protein EccB1
著者Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
登録日2015-01-24
公開日2015-12-09
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
3SWB
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BU of 3swb by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C in complex with cadmium at 1.7 A resolution
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X.L, Paetzel, M.
登録日2011-07-13
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
3SD6
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BU of 3sd6 by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C in complex with cadmium at 1.4 resolution.
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X.L, Paetzel, M.
登録日2011-06-08
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
5EBD
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BU of 5ebd by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state IV)
分子名称: CALCIUM ION, CHLORIDE ION, ESX-1 secretion system protein eccB1
著者Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J.
登録日2015-10-19
公開日2016-02-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 72, 2016
5EBC
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BU of 5ebc by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state III)
分子名称: CALCIUM ION, ESX-1 secretion system protein eccB1
著者Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J.
登録日2015-10-19
公開日2016-02-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 72, 2016
3TC1
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BU of 3tc1 by Molmil
Crystal Structure of Octaprenyl Pyrophosphate Synthase from Helicobacter pylori
分子名称: MAGNESIUM ION, Octaprenyl Pyrophosphate Synthase
著者Zhang, J.Y, Zhang, X.L, Li, D.F, Zou, Q.M, Wang, D.C.
登録日2011-08-08
公開日2011-08-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Octaprenyl Pyrophosphate Synthase from Helicobacter pylori
To be Published
7WVK
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BU of 7wvk by Molmil
Crystal structure of human WDR5 in complex with compound 19
分子名称: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ...
著者Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F.
登録日2022-02-10
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Acta Pharmacol.Sin., 44, 2023
7XC8
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BU of 7xc8 by Molmil
Crystal structure of cotton alpha-like expansin GhEXLA1
分子名称: Beta-expansin, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Zhao, F, Men, S, Xue, Y, Tu, L.L, Yin, P, Zhang, X.L.
登録日2022-03-23
公開日2023-05-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of cotton alpha-like expansin GhEXLA1
To Be Published
8WCN
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BU of 8wcn by Molmil
Cryo-EM structure of PAO1-ImcA with GMPCPP
分子名称: Diguanylate cyclase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Zhan, X.L, Zhang, K, Wang, C.C, Fan, Q, Tang, X.J, Zhang, X, Wang, K, Fu, Y, Liang, H.H.
登録日2023-09-13
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
2MQ3
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BU of 2mq3 by Molmil
NMR structure of the c3 domain of human cardiac myosin binding protein-c with a hypertrophic cardiomyopathy-related mutation R502W.
分子名称: Myosin-binding protein C, cardiac-type
著者Zhang, X, De, S, Mcintosh, L.P, Paetzel, M.
登録日2014-06-12
公開日2014-07-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of the C3 Domain of Cardiac Myosin Binding Protein C and Its Hypertrophic Cardiomyopathy-Related R502W Mutant.
Biochemistry, 53, 2014
2MQ0
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BU of 2mq0 by Molmil
NMR structure of the c3 domain of human cardiac myosin binding protein-c
分子名称: Myosin-binding protein C, cardiac-type
著者Zhang, X, De, S, Mcintosh, L.P, Paetzel, M.
登録日2014-06-10
公開日2014-07-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of the C3 Domain of Cardiac Myosin Binding Protein C and Its Hypertrophic Cardiomyopathy-Related R502W Mutant.
Biochemistry, 53, 2014
4GJE
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BU of 4gje by Molmil
Crystal structure of the refolded amino-terminal domain of human cardiac troponin C in complex with cadmium
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
4GJF
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BU of 4gjf by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C mutant L29Q in complex with cadmium
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
4GJG
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BU of 4gjg by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C mutant D2N/V28I/L29Q/G30D (NIQD) in complex with cadmium.
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-24
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-26
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INK
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BU of 6ink by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-25
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
8GXP
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BU of 8gxp by Molmil
Complex structure of RORgama with betulinic acid
分子名称: Betulinic acid, Nuclear receptor ROR-gamma
著者Zhang, X.L, Xu, C, Bai, F.
登録日2022-09-20
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
6LRM
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BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
分子名称: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
著者Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2020-01-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021

 

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